[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate CAS Name: 2-[(N-methylanilino)-oxomethyl]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate Traditional Name: 2-[methyl(phenyl)carbamoyl]benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4S/c1-25(16-7-3-2-4-8-16)21(27)17-9-5-6-10-18(17)22(28)29-14-19(26)24-20-15(13-23)11-12-30-20/h2-12H,14H2,1H3,(H,24,26)