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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-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] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C)C

InChI

InChI=1S/C17H18N2O3S2/c1-4-5-12-6-15(24-11(12)3)17(21)22-8-14(20)13(7-18)16-19-10(2)9-23-16/h6,9,13H,4-5,8H2,1-3H3/t13-/m0/s1