[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

InChI

InChI=1S/C19H22N4O4S/c1-13(24)22-11-14-6-7-17(28-14)16(25)12-27-18(26)15-5-2-3-10-23(15)19-20-8-4-9-21-19/h4,6-9,15H,2-3,5,10-12H2,1H3,(H,22,24)