2-[[1-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[1-[(1-ethoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[1-[[[1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]cyclopentyl]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[1-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[1-[[1-carbethoxy-3-(methylthio)propyl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butyric acid Formula: C24H35NO5S MolecularWeight: 449.6034

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO5S/c1-3-30-22(28)20(13-16-31-2)25-23(29)24(14-7-8-15-24)17-19(21(26)27)12-11-18-9-5-4-6-10-18/h4-6,9-10,19-20H,3,7-8,11-17H2,1-2H3,(H,25,29)(H,26,27)