methyl 4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)benzoate

Systemtic Name: methyl 4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)benzoate Openeye Name: methyl 4-(5-chloro-3-oxo-isothiazol-2-yl)benzoate CAS Name: 4-(5-chloro-3-oxo-2-isothiazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-chloro-3-oxo-1,2-thiazol-2-yl)benzoate Traditional Name: 4-(5-chloro-3-keto-4-isothiazolin-2-yl)benzoic acid methyl ester Formula: C11H8ClNO3S MolecularWeight: 269.70412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)C=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C=C(S2)Cl

InChI

InChI=1S/C11H8ClNO3S/c1-16-11(15)7-2-4-8(5-3-7)13-10(14)6-9(12)17-13/h2-6H,1H3