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

Systemtic Name: methyl 3-[2,5-bis(oxidanylidene)-4-pentadecyl-1-phenyl-3-pyridin-2-ylsulfanyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[2,5-dioxo-4-pentadecyl-1-phenyl-3-(2-pyridylsulfanyl)pyrrolidin-3-yl]propanoate CAS Name: 3-[2,5-dioxo-4-pentadecyl-1-phenyl-3-(2-pyridinylthio)-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(2,5-dioxo-4-pentadecyl-1-phenyl-3-pyridin-2-ylsulfanylpyrrolidin-3-yl)propanoate Traditional Name: 3-[2,5-diketo-4-pentadecyl-1-phenyl-3-(2-pyridylthio)pyrrolidin-3-yl]propionic acid methyl ester Formula: C34H48N2O4S MolecularWeight: 580.82092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C34H48N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-23-29-32(38)36(28-21-16-15-17-22-28)33(39)34(29,26-25-31(37)40-2)41-30-24-19-20-27-35-30/h15-17,19-22,24,27,29H,3-14,18,23,25-26H2,1-2H3