methyl 2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]sulfanylethanoate hydrochloride

Systemtic Name: methyl 2-[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]sulfanylethanoate hydrochloride Openeye Name: methyl 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]sulfanylacetate hydrochloride CAS Name: 2-[[2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]thio]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]sulfanylacetate hydrochloride Traditional Name: 2-[[2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]thio]acetic acid methyl ester hydrochloride Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1CCN(C1=O)CCCC2=CC=CC=C2.Cl

Isomeric SMILES

COC(=O)CSC1CCN(C1=O)CCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H21NO3S.ClH/c1-20-15(18)12-21-14-9-11-17(16(14)19)10-5-8-13-6-3-2-4-7-13;/h2-4,6-7,14H,5,8-12H2,1H3;1H