2-chloro-5-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid (Q27193667)

SMR000162386 (English)

11 October 2016

chemical formula

C₁₆H₁₃ClN₂O₄S

1 reference

SMR000162386 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O

1 reference

SMR000162386 (English)

InChI=1S/C16H13ClN2O4S/c1-23-11-4-2-3-9(7-11)14(20)19-16(24)18-10-5-6-13(17)12(8-10)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)

11 October 2016

Identifiers

InChI

1 reference

SMR000162386 (English)

YJOGCPFPWBFJHJ-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

SMR000162386 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Chloro-5-{[(3-methoxybenzoyl)carbamothioyl]amino}benzoic acid (English)

11 October 2016

2 references

SMR000162386 (English)

matched by identifier from

11 October 2016

InChIKey

YJOGCPFPWBFJHJ-UHFFFAOYSA-N

ChEBI ID

113201

mapping relation type

2 references

2-chloro-5-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H13ClN2O4S/c1-23-11-4-2-3-9(7-11)14(20)19-16(24)18-10-5-6-13(17)12(8-10)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)

1 reference