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

Systemtic Name: methyl 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)OC)C

Isomeric SMILES

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

InChI

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