dimethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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