ethyl (3S)-1-[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[[6-(2-methoxy-2-oxo-ethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[[4-keto-6-(2-keto-2-methoxy-ethyl)-1H-pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C17H23N3O6S/c1-3-26-16(24)11-5-4-6-20(9-11)14(22)10-27-17-18-12(7-13(21)19-17)8-15(23)25-2/h7,11H,3-6,8-10H2,1-2H3,(H,18,19,21)/t11-/m0/s1