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

Systemtic Name: dimethyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-12(30-14-7-9-17(26-2)18(11-14)27-3)19(23)22-16-10-13(20(24)28-4)6-8-15(16)21(25)29-5/h6-12H,1-5H3,(H,22,23)