methyl 4-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyloxy]benzoate

Systemtic Name: methyl 4-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyloxy]benzoate Openeye Name: methyl 4-[[1-(acetylsulfanylmethyl)-2-(o-tolyl)ethyl]carbamoyloxy]benzoate CAS Name: 4-[[[1-(acetylthio)-3-(2-methylphenyl)propan-2-yl]amino]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-acetylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyloxy]benzoate Traditional Name: 4-[[1-[(acetylthio)methyl]-2-(o-tolyl)ethyl]carbamoyloxy]benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)OC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)OC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-14-6-4-5-7-17(14)12-18(13-28-15(2)23)22-21(25)27-19-10-8-16(9-11-19)20(24)26-3/h4-11,18H,12-13H2,1-3H3,(H,22,25)