methyl 4-(cyanomethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxylate

Systemtic Name: methyl 4-(cyanomethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxylate Openeye Name: methyl 4-(cyanomethyl)-3-oxo-1,4-benzothiazine-6-carboxylate CAS Name: 4-(cyanomethyl)-3-oxo-1,4-benzothiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-(cyanomethyl)-3-oxo-1,4-benzothiazine-6-carboxylate Traditional Name: 4-(cyanomethyl)-3-keto-1,4-benzothiazine-6-carboxylic acid methyl ester Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC#N

InChI

InChI=1S/C12H10N2O3S/c1-17-12(16)8-2-3-10-9(6-8)14(5-4-13)11(15)7-18-10/h2-3,6H,5,7H2,1H3