2-[2-oxidanylidene-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-(4-pyrrol-1-yl-1-piperidyl)ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-[4-(1-pyrrolyl)-1-piperidinyl]ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(4-pyrrol-1-ylpiperidino)ethyl]thio]acetic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=CC=C2)C(=O)CSCC(=O)O

Isomeric SMILES

C1CN(CCC1N2C=CC=C2)C(=O)CSCC(=O)O

InChI

InChI=1S/C13H18N2O3S/c16-12(9-19-10-13(17)18)15-7-3-11(4-8-15)14-5-1-2-6-14/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)