2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]-4-thiophen-2-ylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]-4-thiophen-2-ylsulfanyl-butanoic acid Openeye Name: 2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)-4-(2-thienylsulfanyl)butanoic acid CAS Name: 2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]-4-(thiophen-2-ylthio)butanoic acid IUPAC Name: 2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]-4-thiophen-2-ylsulfanylbutanoic acid Traditional Name: 2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)-4-(2-thienylthio)butyric acid Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CCSC3=CC=CS3)C(=O)O

Isomeric SMILES

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CCSC3=CC=CS3)C(=O)O

InChI

InChI=1S/C24H31NO3S2/c1-18(2)17-24(20(22(26)27)11-16-30-21-9-6-15-29-21)12-14-25(23(24)28)13-10-19-7-4-3-5-8-19/h3-9,15,18,20H,10-14,16-17H2,1-2H3,(H,26,27)