1-ethanoyl-4-(1-ethanoylpiperidin-4-yl)sulfanyl-2,3-dihydropyrrole-5-carboxylic acid

Systemtic Name: 1-ethanoyl-4-(1-ethanoylpiperidin-4-yl)sulfanyl-2,3-dihydropyrrole-5-carboxylic acid Openeye Name: 1-acetyl-4-[(1-acetyl-4-piperidyl)sulfanyl]-2,3-dihydropyrrole-5-carboxylic acid CAS Name: 1-acetyl-4-[(1-acetyl-4-piperidinyl)thio]-2,3-dihydropyrrole-5-carboxylic acid IUPAC Name: 1-acetyl-4-(1-acetylpiperidin-4-yl)sulfanyl-2,3-dihydropyrrole-5-carboxylic acid Traditional Name: 1-acetyl-3-[(1-acetyl-4-piperidyl)thio]-2-pyrroline-2-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)SC2=C(N(CC2)C(=O)C)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(CC1)SC2=C(N(CC2)C(=O)C)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-9(17)15-6-3-11(4-7-15)21-12-5-8-16(10(2)18)13(12)14(19)20/h11H,3-8H2,1-2H3,(H,19,20)