[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)N3C=CC=C3)C

InChI

InChI=1S/C21H19N3O3S/c1-14-15(2)28-20(24-11-3-4-12-24)19(14)21(26)27-13-18(25)23-17-7-5-16(6-8-17)9-10-22/h3-8,11-12H,9,13H2,1-2H3,(H,23,25)