methyl 1-(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]isonipecotic acid methyl ester Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)OC)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)OC)Cl

InChI

InChI=1S/C14H18ClN3O3S/c1-3-22-14-16-8-10(15)11(17-14)12(19)18-6-4-9(5-7-18)13(20)21-2/h8-9H,3-7H2,1-2H3