2-methyl-1-[3-(phenylsulfanylmethyl)-1,3-dihydropyrrolo[3,4-b]quinolin-2-yl]hexane-1,4-dione

Systemtic Name: 2-methyl-1-[3-(phenylsulfanylmethyl)-1,3-dihydropyrrolo[3,4-b]quinolin-2-yl]hexane-1,4-dione Openeye Name: 2-methyl-1-[3-(phenylsulfanylmethyl)-1,3-dihydropyrrolo[3,4-b]quinolin-2-yl]hexane-1,4-dione CAS Name: 2-methyl-1-[3-[(phenylthio)methyl]-1,3-dihydropyrrolo[3,4-b]quinolin-2-yl]hexane-1,4-dione IUPAC Name: 2-methyl-1-[3-(phenylsulfanylmethyl)-1,3-dihydropyrrolo[3,4-b]quinolin-2-yl]hexane-1,4-dione Traditional Name: 2-methyl-1-[3-[(phenylthio)methyl]-1,3-dihydropyrrolo[3,4-b]quinolin-2-yl]hexane-1,4-dione Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C)C(=O)N1CC2=CC3=CC=CC=C3N=C2C1CSC4=CC=CC=C4

Isomeric SMILES

CCC(=O)CC(C)C(=O)N1CC2=CC3=CC=CC=C3N=C2C1CSC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2S/c1-3-20(28)13-17(2)25(29)27-15-19-14-18-9-7-8-12-22(18)26-24(19)23(27)16-30-21-10-5-4-6-11-21/h4-12,14,17,23H,3,13,15-16H2,1-2H3