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

Systemtic Name: diethyl 5-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C22H22N2O6S/c1-3-29-21(27)13-9-14(22(28)30-4-2)11-15(10-13)23-19(25)12-18-20(26)24-16-7-5-6-8-17(16)31-18/h5-11,18H,3-4,12H2,1-2H3,(H,23,25)(H,24,26)