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

Systemtic Name: methyl 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate CAS Name: 3-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(3,4-dimethylphenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-13-7-8-17(11-14(13)2)24-10-9-18(21)20-16-6-4-5-15(12-16)19(22)23-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)