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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)acetic 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-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)CC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C17H15ClN2O4S/c1-10-9-25-17(20-10)13(7-19)14(21)8-24-16(22)6-11-5-12(18)3-4-15(11)23-2/h3-5,9,13H,6,8H2,1-2H3/t13-/m0/s1