[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic 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-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H11N3O3S3 MolecularWeight: 389.47184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H11N3O3S3/c1-9-7-24-14(18-9)10(5-17)12(20)6-22-16(21)11-8-25-15(19-11)13-3-2-4-23-13/h2-4,7-8,10H,6H2,1H3/t10-/m0/s1