[(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [(1R)-2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [(1R)-2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O[C@H](C)C(=O)N(CCC#N)C2=CC=CC=C2)NC(=O)C)C

InChI

InChI=1S/C21H23N3O4S/c1-13-15(3)29-19(23-16(4)25)18(13)21(27)28-14(2)20(26)24(12-8-11-22)17-9-6-5-7-10-17/h5-7,9-10,14H,8,12H2,1-4H3,(H,23,25)/t14-/m1/s1