methyl 4-[2-[2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-[2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]butanoate Openeye Name: methyl 4-[2-[2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]butanoate CAS Name: 4-[2-[2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]ethylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoate Traditional Name: 4-[2-(2-keto-5-methylol-pyrrolidino)ethylthio]butyric acid methyl ester Formula: C12H21NO4S MolecularWeight: 275.36444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSCCN1C(CCC1=O)CO

Isomeric SMILES

COC(=O)CCCSCCN1C(CCC1=O)CO

InChI

InChI=1S/C12H21NO4S/c1-17-12(16)3-2-7-18-8-6-13-10(9-14)4-5-11(13)15/h10,14H,2-9H2,1H3