2-[3-butylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4,7-dimethoxy-isoindole-1,3-dione

Systemtic Name: 2-[3-butylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4,7-dimethoxy-isoindole-1,3-dione Openeye Name: 2-(3-butylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)-4,7-dimethoxy-isoindoline-1,3-dione CAS Name: 2-[3-(butylthio)-2,5-dioxo-1-pyrrolidinyl]-4,7-dimethoxyisoindole-1,3-dione IUPAC Name: 2-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4,7-dimethoxyisoindole-1,3-dione Traditional Name: 2-[3-(butylthio)-2,5-diketo-pyrrolidino]-4,7-dimethoxy-isoindoline-1,3-quinone Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1CC(=O)N(C1=O)N2C(=O)C3=C(C=CC(=C3C2=O)OC)OC

Isomeric SMILES

CCCCSC1CC(=O)N(C1=O)N2C(=O)C3=C(C=CC(=C3C2=O)OC)OC

InChI

InChI=1S/C18H20N2O6S/c1-4-5-8-27-12-9-13(21)19(16(12)22)20-17(23)14-10(25-2)6-7-11(26-3)15(14)18(20)24/h6-7,12H,4-5,8-9H2,1-3H3