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

Systemtic Name: methyl 4-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]benzoate Openeye Name: methyl 4-[(4-cyano-3-oxo-isothiazol-5-yl)amino]benzoate CAS Name: 4-[(4-cyano-3-oxo-5-isothiazolyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]benzoate Traditional Name: 4-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]benzoic acid methyl ester Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O3S/c1-18-12(17)7-2-4-8(5-3-7)14-11-9(6-13)10(16)15-19-11/h2-5,14H,1H3,(H,15,16)