tert-butyl 1-ethanoyl-4-(1-ethanoylpiperidin-4-yl)sulfanyl-2,3-dihydropyrrole-5-carboxylate

Systemtic Name: tert-butyl 1-ethanoyl-4-(1-ethanoylpiperidin-4-yl)sulfanyl-2,3-dihydropyrrole-5-carboxylate Openeye Name: tert-butyl 1-acetyl-4-[(1-acetyl-4-piperidyl)sulfanyl]-2,3-dihydropyrrole-5-carboxylate CAS Name: 1-acetyl-4-[(1-acetyl-4-piperidinyl)thio]-2,3-dihydropyrrole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-acetyl-4-(1-acetylpiperidin-4-yl)sulfanyl-2,3-dihydropyrrole-5-carboxylate Traditional Name: 1-acetyl-3-[(1-acetyl-4-piperidyl)thio]-2-pyrroline-2-carboxylic acid tert-butyl ester Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S/c1-12(21)19-9-6-14(7-10-19)25-15-8-11-20(13(2)22)16(15)17(23)24-18(3,4)5/h14H,6-11H2,1-5H3