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

Systemtic Name: dimethyl 5-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H20N2O6S/c1-28-20(26)13-9-14(21(27)29-2)11-15(10-13)22-18(24)7-8-23-16-5-3-4-6-17(16)30-12-19(23)25/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,24)