2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (Q27188638)

SMR000003775 (English)

10 October 2016

chemical formula

C₁₈H₂₃N₅O₃S

1 reference

SMR000003775 (English)

10 October 2016

canonical SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCCC3

1 reference

SMR000003775 (English)

InChI=1S/C18H23N5O3S/c1-2-26-17(25)14-10-6-7-11-15(14)19-16(24)12-27-18-20-21-22-23(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,24)

10 October 2016

Identifiers

InChI

1 reference

SMR000003775 (English)

VUFMASCGMANIAG-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

SMR000003775 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Ethyl 2-({[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)benzoate (English)

10 October 2016

2 references

SMR000003775 (English)

matched by identifier from

10 October 2016

InChIKey

VUFMASCGMANIAG-UHFFFAOYSA-N

ChEBI ID

109493

mapping relation type

2 references

2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H23N5O3S/c1-2-26-17(25)14-10-6-7-11-15(14)19-16(24)12-27-18-20-21-22-23(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,24)

1 reference