dimethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C19H16N2O5S2/c1-25-17(23)11-7-12(18(24)26-2)9-13(8-11)20-16(22)10-27-19-21-14-5-3-4-6-15(14)28-19/h3-9H,10H2,1-2H3,(H,20,22)