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

Systemtic Name: diethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C21H20N2O5S2/c1-3-27-19(25)13-9-14(20(26)28-4-2)11-15(10-13)22-18(24)12-29-21-23-16-7-5-6-8-17(16)30-21/h5-11H,3-4,12H2,1-2H3,(H,22,24)