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

Systemtic Name: methyl 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4-methylbenzoate Traditional Name: 3-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C

InChI

InChI=1S/C20H23NO3S/c1-13-6-8-17(11-15(13)3)25-10-9-19(22)21-18-12-16(20(23)24-4)7-5-14(18)2/h5-8,11-12H,9-10H2,1-4H3,(H,21,22)