ethyl (2R)-1-[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[[6-(2-methoxy-2-oxo-ethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[[4-keto-6-(2-keto-2-methoxy-ethyl)-1H-pyrimidin-2-yl]thio]acetyl]pipecolinic acid ethyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C17H23N3O6S/c1-3-26-16(24)12-6-4-5-7-20(12)14(22)10-27-17-18-11(8-13(21)19-17)9-15(23)25-2/h8,12H,3-7,9-10H2,1-2H3,(H,18,19,21)/t12-/m1/s1