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

Systemtic Name: diethyl 5-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C22H22N2O5S2/c1-3-28-21(26)14-9-15(22(27)29-4-2)11-16(10-14)23-19(25)12-30-13-20-24-17-7-5-6-8-18(17)31-20/h5-11H,3-4,12-13H2,1-2H3,(H,23,25)