[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)OCC

InChI

InChI=1S/C21H22N2O6S/c1-3-27-16-7-6-14(10-17(16)28-4-2)22-19(24)11-29-21(26)13-5-8-18-15(9-13)23-20(25)12-30-18/h5-10H,3-4,11-12H2,1-2H3,(H,22,24)(H,23,25)