ethyl 2-[4-[3-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3-[2-(2-furylmethylsulfanyl)ethylcarbamoyl]-6-methyl-2-pyridyl]-1-piperidyl]acetate CAS Name: 2-[4-[3-[[2-(2-furanylmethylthio)ethylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-6-methylpyridin-2-yl]piperidin-1-yl]acetate Traditional Name: 2-[4-[3-[2-(2-furfurylthio)ethylcarbamoyl]-6-methyl-2-pyridyl]piperidino]acetic acid ethyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C23H31N3O4S/c1-3-29-21(27)15-26-11-8-18(9-12-26)22-20(7-6-17(2)25-22)23(28)24-10-14-31-16-19-5-4-13-30-19/h4-7,13,18H,3,8-12,14-16H2,1-2H3,(H,24,28)