methyl 3-[4-nonyl-2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-pyrrolidin-3-yl]propanoate

Systemtic Name: methyl 3-[4-nonyl-2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[4-nonyl-2,5-dioxo-1-phenyl-3-(2-pyridylsulfanyl)pyrrolidin-3-yl]propanoate CAS Name: 3-[4-nonyl-2,5-dioxo-1-phenyl-3-(2-pyridinylthio)-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-nonyl-2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanylpyrrolidin-3-yl)propanoate Traditional Name: 3-[2,5-diketo-4-nonyl-1-phenyl-3-(2-pyridylthio)pyrrolidin-3-yl]propionic acid methyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C28H36N2O4S/c1-3-4-5-6-7-8-12-17-23-26(32)30(22-15-10-9-11-16-22)27(33)28(23,20-19-25(31)34-2)35-24-18-13-14-21-29-24/h9-11,13-16,18,21,23H,3-8,12,17,19-20H2,1-2H3