pyrrolidin-1-yl 2-(hydroxymethyl)-5-sulfanylidene-heptanoate

Systemtic Name: pyrrolidin-1-yl 2-(hydroxymethyl)-5-sulfanylidene-heptanoate Openeye Name: pyrrolidin-1-yl 2-(hydroxymethyl)-5-thioxo-heptanoate CAS Name: 2-(hydroxymethyl)-5-sulfanylideneheptanoic acid 1-pyrrolidinyl ester IUPAC Name: pyrrolidin-1-yl 2-(hydroxymethyl)-5-sulfanylideneheptanoate Traditional Name: 2-methylol-5-thioxo-enanthic acid pyrrolidino ester Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)CCC(CO)C(=O)ON1CCCC1

Isomeric SMILES

CCC(=S)CCC(CO)C(=O)ON1CCCC1

InChI

InChI=1S/C12H21NO3S/c1-2-11(17)6-5-10(9-14)12(15)16-13-7-3-4-8-13/h10,14H,2-9H2,1H3