[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C21H15N3O4S/c22-11-13-5-1-2-6-14(13)15-7-3-4-8-16(15)21(27)28-12-18(25)24-20-17(19(23)26)9-10-29-20/h1-10H,12H2,(H2,23,26)(H,24,25)