methyl 2-[1-[3-(4-methylsulfanylphenyl)propyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[1-[3-(4-methylsulfanylphenyl)propyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[1-[3-(4-methylsulfanylphenyl)propyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[1-[3-[4-(methylthio)phenyl]propyl]-2-oxo-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-(4-methylsulfanylphenyl)propyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[2-keto-1-[3-[4-(methylthio)phenyl]propyl]pyrrolidin-3-yl]acetic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(C1=O)CCCC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)CC1CCN(C1=O)CCCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H23NO3S/c1-21-16(19)12-14-9-11-18(17(14)20)10-3-4-13-5-7-15(22-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3