methyl 4-methyl-3-[2-(4-methylphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(4-methylphenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(p-tolylsulfanyl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(p-tolylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-12-4-8-15(9-5-12)23-11-17(20)19-16-10-14(18(21)22-3)7-6-13(16)2/h4-10H,11H2,1-3H3,(H,19,20)