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

Systemtic Name: methyl 3-[4-octyl-2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[4-octyl-2,5-dioxo-1-phenyl-3-(2-pyridylsulfanyl)pyrrolidin-3-yl]propanoate CAS Name: 3-[4-octyl-2,5-dioxo-1-phenyl-3-(2-pyridinylthio)-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-octyl-2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanylpyrrolidin-3-yl)propanoate Traditional Name: 3-[2,5-diketo-4-octyl-1-phenyl-3-(2-pyridylthio)pyrrolidin-3-yl]propionic acid methyl ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4S/c1-3-4-5-6-7-11-16-22-25(31)29(21-14-9-8-10-15-21)26(32)27(22,19-18-24(30)33-2)34-23-17-12-13-20-28-23/h8-10,12-15,17,20,22H,3-7,11,16,18-19H2,1-2H3