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

Systemtic Name: methyl 3-[4-heptadecyl-2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[4-heptadecyl-2,5-dioxo-1-phenyl-3-(2-pyridylsulfanyl)pyrrolidin-3-yl]propanoate CAS Name: 3-[4-heptadecyl-2,5-dioxo-1-phenyl-3-(2-pyridinylthio)-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-heptadecyl-2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanylpyrrolidin-3-yl)propanoate Traditional Name: 3-[4-heptadecyl-2,5-diketo-1-phenyl-3-(2-pyridylthio)pyrrolidin-3-yl]propionic acid methyl ester Formula: C36H52N2O4S MolecularWeight: 608.87408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C36H52N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-34(40)38(30-23-18-17-19-24-30)35(41)36(31,28-27-33(39)42-2)43-32-26-21-22-29-37-32/h17-19,21-24,26,29,31H,3-16,20,25,27-28H2,1-2H3