1-ethanoyl-4-piperidin-4-ylsulfanyl-2,3-dihydropyrrole-5-carboxylic acid

Systemtic Name: 1-ethanoyl-4-piperidin-4-ylsulfanyl-2,3-dihydropyrrole-5-carboxylic acid Openeye Name: 1-acetyl-4-(4-piperidylsulfanyl)-2,3-dihydropyrrole-5-carboxylic acid CAS Name: 1-acetyl-4-(4-piperidinylthio)-2,3-dihydropyrrole-5-carboxylic acid IUPAC Name: 1-acetyl-4-piperidin-4-ylsulfanyl-2,3-dihydropyrrole-5-carboxylic acid Traditional Name: 1-acetyl-3-(4-piperidylthio)-2-pyrroline-2-carboxylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(=C1C(=O)O)SC2CCNCC2

Isomeric SMILES

CC(=O)N1CCC(=C1C(=O)O)SC2CCNCC2

InChI

InChI=1S/C12H18N2O3S/c1-8(15)14-7-4-10(11(14)12(16)17)18-9-2-5-13-6-3-9/h9,13H,2-7H2,1H3,(H,16,17)