[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O4S/c1-11-10-26-18(21-11)14(8-20)16(23)9-25-17(24)7-6-15(22)12-2-4-13(19)5-3-12/h2-5,10,14H,6-7,9H2,1H3/t14-/m1/s1