[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)[C@@H](C#N)C(=C)N)NC(=O)C)C

InChI

InChI=1S/C15H17N3O4S/c1-7-9(3)23-14(18-10(4)19)13(7)15(21)22-6-12(20)11(5-16)8(2)17/h11H,2,6,17H2,1,3-4H3,(H,18,19)/t11-/m0/s1