dimethyl 5-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C(=O)OC

InChI

InChI=1S/C19H16N2O6S/c1-26-18(24)11-5-12(19(25)27-2)7-13(6-11)20-17(23)10-3-4-15-14(8-10)21-16(22)9-28-15/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)