methyl 3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4-methylbenzoate Traditional Name: 3-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H23NO5S/c1-12-6-7-14(20(23)26-5)10-16(12)21-19(22)13(2)27-15-8-9-17(24-3)18(11-15)25-4/h6-11,13H,1-5H3,(H,21,22)