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

Systemtic Name: methyl 3-[4-hexyl-2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[4-hexyl-2,5-dioxo-1-phenyl-3-(2-pyridylsulfanyl)pyrrolidin-3-yl]propanoate CAS Name: 3-[4-hexyl-2,5-dioxo-1-phenyl-3-(2-pyridinylthio)-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-hexyl-2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanylpyrrolidin-3-yl)propanoate Traditional Name: 3-[4-hexyl-2,5-diketo-1-phenyl-3-(2-pyridylthio)pyrrolidin-3-yl]propionic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4S/c1-3-4-5-9-14-20-23(29)27(19-12-7-6-8-13-19)24(30)25(20,17-16-22(28)31-2)32-21-15-10-11-18-26-21/h6-8,10-13,15,18,20H,3-5,9,14,16-17H2,1-2H3