methyl 2-acetamido-4-[4-[3-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-acetamido-4-[4-[3-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetamido-4-[4-[3-[2-(2-furylmethylsulfanyl)ethylcarbamoyl]-6-methyl-2-pyridyl]-1-piperidyl]-4-oxo-butanoate CAS Name: 2-acetamido-4-[4-[3-[[2-(2-furanylmethylthio)ethylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[4-[3-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-6-methylpyridin-2-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 2-acetamido-4-[4-[3-[2-(2-furfurylthio)ethylcarbamoyl]-6-methyl-2-pyridyl]piperidino]-4-keto-butyric acid methyl ester Formula: C26H34N4O6S MolecularWeight: 530.63636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C26H34N4O6S/c1-17-6-7-21(25(33)27-10-14-37-16-20-5-4-13-36-20)24(28-17)19-8-11-30(12-9-19)23(32)15-22(26(34)35-3)29-18(2)31/h4-7,13,19,22H,8-12,14-16H2,1-3H3,(H,27,33)(H,29,31)