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

Systemtic Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C

InChI

InChI=1S/C21H25NO5S/c1-13-6-7-15(10-14(13)2)28-9-8-20(23)22-17-12-19(26-4)18(25-3)11-16(17)21(24)27-5/h6-7,10-12H,8-9H2,1-5H3,(H,22,23)