[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H13ClN2O4S MolecularWeight: 424.85692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H13ClN2O4S/c22-15-7-5-13(6-8-15)19(26)16-3-1-2-4-17(16)21(27)28-12-18(25)24-20-14(11-23)9-10-29-20/h1-10H,12H2,(H,24,25)