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

Systemtic Name: methyl 4-[(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)methyl]benzoate Openeye Name: methyl 4-[(5-chloro-3-oxo-isothiazol-2-yl)methyl]benzoate CAS Name: 4-[(5-chloro-3-oxo-2-isothiazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-3-oxo-1,2-thiazol-2-yl)methyl]benzoate Traditional Name: 4-[(5-chloro-3-keto-4-isothiazolin-2-yl)methyl]benzoic acid methyl ester Formula: C12H10ClNO3S MolecularWeight: 283.7307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(S2)Cl

InChI

InChI=1S/C12H10ClNO3S/c1-17-12(16)9-4-2-8(3-5-9)7-14-11(15)6-10(13)18-14/h2-6H,7H2,1H3