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

Systemtic Name: methyl 3-[4-decyl-2,5-bis(oxidanylidene)-1-phenyl-3-pyridin-2-ylsulfanyl-pyrrolidin-3-yl]propanoate Openeye Name: methyl 3-[4-decyl-2,5-dioxo-1-phenyl-3-(2-pyridylsulfanyl)pyrrolidin-3-yl]propanoate CAS Name: 3-[4-decyl-2,5-dioxo-1-phenyl-3-(2-pyridinylthio)-3-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-decyl-2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanylpyrrolidin-3-yl)propanoate Traditional Name: 3-[4-decyl-2,5-diketo-1-phenyl-3-(2-pyridylthio)pyrrolidin-3-yl]propionic acid methyl ester Formula: C29H38N2O4S MolecularWeight: 510.68802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC1C(=O)N(C(=O)C1(CCC(=O)OC)SC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C29H38N2O4S/c1-3-4-5-6-7-8-9-13-18-24-27(33)31(23-16-11-10-12-17-23)28(34)29(24,21-20-26(32)35-2)36-25-19-14-15-22-30-25/h10-12,14-17,19,22,24H,3-9,13,18,20-21H2,1-2H3