dimethyl 5-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H18N2O6S/c1-27-19(25)11-7-12(20(26)28-2)9-13(8-11)21-17(23)10-16-18(24)22-14-5-3-4-6-15(14)29-16/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)