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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-methoxy-5-methyl-benzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-methylbenzoic 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-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-methyl-benzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C17H16N2O4S/c1-10-4-5-15(22-3)12(6-10)17(21)23-8-14(20)13(7-18)16-19-11(2)9-24-16/h4-6,9,13H,8H2,1-3H3/t13-/m0/s1