[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenecarboxylic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CS2)C(=O)OCC(=O)C(C#N)C3=NC(=CS3)C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CS2)C(=O)OCC(=O)[C@H](C#N)C3=NC(=CS3)C)C

InChI

InChI=1S/C19H17N3O3S2/c1-11-10-27-17(21-11)15(8-20)16(23)9-25-19(24)14-6-7-26-18(14)22-12(2)4-5-13(22)3/h4-7,10,15H,9H2,1-3H3/t15-/m0/s1