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

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S/c1-17(22(26)25(15-8-14-24)19-11-6-3-7-12-19)28-23(27)21-20(13-16-29-21)18-9-4-2-5-10-18/h2-7,9-13,16-17H,8,15H2,1H3