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

Systemtic Name: dimethyl 5-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3CS2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3CS2)C(=O)OC

InChI

InChI=1S/C20H18N2O5S2/c1-26-18(24)13-7-14(19(25)27-2)9-15(8-13)21-17(23)11-29-20-22-16-6-4-3-5-12(16)10-28-20/h3-9H,10-11H2,1-2H3,(H,21,23)