benzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester (Q27196085)

MLS000374860 (English)

11 October 2016

chemical formula

C₂₁H₁₇NO₃S

1 reference

MLS000374860 (English)

11 October 2016

canonical SMILES

C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

1 reference

MLS000374860 (English)

InChI=1S/C21H17NO3S/c23-20(15-25-21(24)16-9-3-1-4-10-16)22-18-13-7-8-14-19(18)26-17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23)

11 October 2016

Identifiers

InChI

1 reference

MLS000374860 (English)

KZCVLTRDOCICSI-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

MLS000374860 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Oxo-2-{[2-(phenylsulfanyl)phenyl]amino}ethyl benzoate (English)

11 October 2016

2 references

MLS000374860 (English)

matched by identifier from

11 October 2016

InChIKey

KZCVLTRDOCICSI-UHFFFAOYSA-N

ChEBI ID

114681

mapping relation type

2 references

benzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H17NO3S/c23-20(15-25-21(24)16-9-3-1-4-10-16)22-18-13-7-8-14-19(18)26-17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23)

1 reference