ethyl 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]nipecotic acid ethyl ester Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C14H18ClN3O3S/c1-3-21-13(20)9-5-4-6-18(8-9)12(19)11-10(15)7-16-14(17-11)22-2/h7,9H,3-6,8H2,1-2H3