methyl 4-chloranyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-chloranyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanoate Openeye Name: methyl 4-chloro-2-(4-methylthiazol-2-yl)-3-oxo-butanoate CAS Name: 4-chloro-2-(4-methyl-2-thiazolyl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanoate Traditional Name: 4-chloro-3-keto-2-(4-methylthiazol-2-yl)butyric acid methyl ester Formula: C9H10ClNO3S MolecularWeight: 247.6986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C(=O)CCl)C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)C(C(=O)CCl)C(=O)OC

InChI

InChI=1S/C9H10ClNO3S/c1-5-4-15-8(11-5)7(6(12)3-10)9(13)14-2/h4,7H,3H2,1-2H3