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

Systemtic Name: methyl 3-[2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-4-tridecyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[2,5-dioxo-1-phenyl-3-(2-pyridylsulfanyl)-4-tridecyl-pyrrolidin-3-yl]propanoate CAS Name: 3-[2,5-dioxo-1-phenyl-3-(2-pyridinylthio)-4-tridecyl-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanyl-4-tridecylpyrrolidin-3-yl)propanoate Traditional Name: 3-[2,5-diketo-1-phenyl-3-(2-pyridylthio)-4-tridecyl-pyrrolidin-3-yl]propionic acid methyl ester Formula: C32H44N2O4S MolecularWeight: 552.76776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C32H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-16-21-27-30(36)34(26-19-14-13-15-20-26)31(37)32(27,24-23-29(35)38-2)39-28-22-17-18-25-33-28/h13-15,17-20,22,25,27H,3-12,16,21,23-24H2,1-2H3