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

Systemtic Name: methyl 4-chloranyl-2-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]benzoate Openeye Name: methyl 4-chloro-2-[(4-cyano-3-oxo-isothiazol-5-yl)amino]benzoate CAS Name: 4-chloro-2-[(4-cyano-3-oxo-5-isothiazolyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]benzoate Traditional Name: 4-chloro-2-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]benzoic acid methyl ester Formula: C12H8ClN3O3S MolecularWeight: 309.72822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC2=C(C(=O)NS2)C#N

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC2=C(C(=O)NS2)C#N

InChI

InChI=1S/C12H8ClN3O3S/c1-19-12(18)7-3-2-6(13)4-9(7)15-11-8(5-14)10(17)16-20-11/h2-4,15H,1H3,(H,16,17)