[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(C=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O3S/c1-14(20(24)23-17-9-5-6-15(12-17)13-22)26-21(25)19-18(10-11-27-19)16-7-3-2-4-8-16/h2-12,14H,1H3,(H,23,24)