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

Systemtic Name: tert-butyl 4-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyloxy]benzoate Openeye Name: tert-butyl 4-[[1-(acetylsulfanylmethyl)-2-(o-tolyl)ethyl]carbamoyloxy]benzoate CAS Name: 4-[[[1-(acetylthio)-3-(2-methylphenyl)propan-2-yl]amino]-oxomethoxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-acetylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyloxy]benzoate Traditional Name: 4-[[1-[(acetylthio)methyl]-2-(o-tolyl)ethyl]carbamoyloxy]benzoic acid tert-butyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S/c1-16-8-6-7-9-19(16)14-20(15-31-17(2)26)25-23(28)29-21-12-10-18(11-13-21)22(27)30-24(3,4)5/h6-13,20H,14-15H2,1-5H3,(H,25,28)