dimethyl 5-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[(4-methoxyphenyl)thio]propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H21NO6S/c1-12(28-17-7-5-16(25-2)6-8-17)18(22)21-15-10-13(19(23)26-3)9-14(11-15)20(24)27-4/h5-12H,1-4H3,(H,21,22)