methyl 4-methyl-3-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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