[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-acetamido-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-acetamido-4-thiophen-2-yl-3-thiophenecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-acetamido-4-(2-thienyl)thiophene-3-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CS1)C2=CC=CS2)C(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

CC(=O)NC1=C(C(=CS1)C2=CC=CS2)C(=O)OCC(=O)N(C)CCC#N

InChI

InChI=1S/C17H17N3O4S2/c1-11(21)19-16-15(12(10-26-16)13-5-3-8-25-13)17(23)24-9-14(22)20(2)7-4-6-18/h3,5,8,10H,4,7,9H2,1-2H3,(H,19,21)