tert-butyl 2-[[1-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoate

Systemtic Name: tert-butyl 2-[[1-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoate Openeye Name: tert-butyl 2-[[1-[(1-ethoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoate CAS Name: 2-[[1-[[[1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]cyclopentyl]methyl]-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenylbutanoate Traditional Name: 2-[[1-[[1-carbethoxy-3-(methylthio)propyl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butyric acid tert-butyl ester Formula: C28H43NO5S MolecularWeight: 505.70972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C1(CCCC1)CC(CCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C1(CCCC1)CC(CCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H43NO5S/c1-6-33-25(31)23(16-19-35-5)29-26(32)28(17-10-11-18-28)20-22(24(30)34-27(2,3)4)15-14-21-12-8-7-9-13-21/h7-9,12-13,22-23H,6,10-11,14-20H2,1-5H3,(H,29,32)