methyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO7S/c1-12(30-13-7-8-16(25-2)17(9-13)26-3)20(23)22-15-11-19(28-5)18(27-4)10-14(15)21(24)29-6/h7-12H,1-6H3,(H,22,23)