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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)C3CC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)C3CC3)C

InChI

InChI=1S/C21H21N3O4S/c1-13-14(2)29-20(23-19(26)15-8-9-15)18(13)21(27)28-12-17(25)24(11-10-22)16-6-4-3-5-7-16/h3-7,15H,8-9,11-12H2,1-2H3,(H,23,26)