ethyl (2R)-2-[5-chloranyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2R)-2-[5-chloranyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2R)-2-[5-chloro-4-(p-tolylsulfonyl)thiazol-2-yl]-3-oxo-butanoate CAS Name: (2R)-2-[5-chloro-4-(4-methylphenyl)sulfonyl-2-thiazolyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]-3-oxobutanoate Traditional Name: (2R)-2-(5-chloro-4-tosyl-thiazol-2-yl)-3-keto-butyric acid ethyl ester Formula: C16H16ClNO5S2 MolecularWeight: 401.88494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=C(S1)Cl)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C

Isomeric SMILES

CCOC(=O)[C@H](C1=NC(=C(S1)Cl)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C

InChI

InChI=1S/C16H16ClNO5S2/c1-4-23-16(20)12(10(3)19)14-18-15(13(17)24-14)25(21,22)11-7-5-9(2)6-8-11/h5-8,12H,4H2,1-3H3/t12-/m0/s1