methyl 3-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[1-(acetylsulfanylmethyl)-2-(o-tolyl)ethyl]carbamoyl]benzoate CAS Name: 3-[[[1-(acetylthio)-3-(2-methylphenyl)propan-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-acetylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyl]benzoate Traditional Name: 3-[[1-[(acetylthio)methyl]-2-(o-tolyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C21H23NO4S/c1-14-7-4-5-8-16(14)12-19(13-27-15(2)23)22-20(24)17-9-6-10-18(11-17)21(25)26-3/h4-11,19H,12-13H2,1-3H3,(H,22,24)