dimethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-25-18(23)12-3-8-15(19(24)26-2)16(11-12)21-17(22)9-10-27-14-6-4-13(20)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,21,22)