[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic 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-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C15H11ClN2O4S MolecularWeight: 350.77684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O4S/c1-8-7-23-14(18-8)11(5-17)13(20)6-22-15(21)10-3-2-9(16)4-12(10)19/h2-4,7,11,19H,6H2,1H3/t11-/m1/s1