[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C3CCCCN3C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C3CCCCN3C4=NC=CC=N4

InChI

InChI=1S/C24H28N4O3S/c1-17-15-20(18(2)27(17)13-9-19-7-5-14-32-19)22(29)16-31-23(30)21-8-3-4-12-28(21)24-25-10-6-11-26-24/h5-7,10-11,14-15,21H,3-4,8-9,12-13,16H2,1-2H3