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

Systemtic Name: methyl 3-[2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-4-undecyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[2,5-dioxo-1-phenyl-3-(2-pyridylsulfanyl)-4-undecyl-pyrrolidin-3-yl]propanoate CAS Name: 3-[2,5-dioxo-1-phenyl-3-(2-pyridinylthio)-4-undecyl-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanyl-4-undecylpyrrolidin-3-yl)propanoate Traditional Name: 3-[2,5-diketo-1-phenyl-3-(2-pyridylthio)-4-undecyl-pyrrolidin-3-yl]propionic acid methyl ester Formula: C30H40N2O4S MolecularWeight: 524.7146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C30H40N2O4S/c1-3-4-5-6-7-8-9-10-14-19-25-28(34)32(24-17-12-11-13-18-24)29(35)30(25,22-21-27(33)36-2)37-26-20-15-16-23-31-26/h11-13,15-18,20,23,25H,3-10,14,19,21-22H2,1-2H3