3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)propanamide

Systemtic Name: 3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)propanamide Openeye Name: 3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-N-[2-(4-pyridyl)ethyl]propanamide CAS Name: 3-[(2R)-2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]-N-(2-pyridin-4-ylethyl)propanamide IUPAC Name: 3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)propanamide Traditional Name: 3-[(2R)-5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]-N-[2-(4-pyridyl)ethyl]propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[C@@]2(CCC(=O)N2)CCC(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C22H27N3O2S/c1-28-19-4-2-18(3-5-19)16-22(12-7-21(27)25-22)11-6-20(26)24-15-10-17-8-13-23-14-9-17/h2-5,8-9,13-14H,6-7,10-12,15-16H2,1H3,(H,24,26)(H,25,27)/t22-/m0/s1