ethanoic acid; 2-methyl-5-[3-(2-methylsulfanylbutan-2-ylamino)-2-oxidanyl-propoxy]-9H-pyrido[3,4-b]indol-1-one

Systemtic Name: ethanoic acid; 2-methyl-5-[3-(2-methylsulfanylbutan-2-ylamino)-2-oxidanyl-propoxy]-9H-pyrido[3,4-b]indol-1-one Openeye Name: acetic acid; 5-[2-hydroxy-3-[(1-methyl-1-methylsulfanyl-propyl)amino]propoxy]-2-methyl-9H-pyrido[3,4-b]indol-1-one CAS Name: acetic acid; 5-[2-hydroxy-3-[2-(methylthio)butan-2-ylamino]propoxy]-2-methyl-9H-pyrido[3,4-b]indol-1-one IUPAC Name: acetic acid; 5-[2-hydroxy-3-(2-methylsulfanylbutan-2-ylamino)propoxy]-2-methyl-9H-pyrido[3,4-b]indol-1-one Traditional Name: acetic acid; 5-[2-hydroxy-3-[[1-methyl-1-(methylthio)propyl]amino]propoxy]-2-methyl-9H-$b-carbolin-1-one Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(NCC(COC1=CC=CC2=C1C3=C(N2)C(=O)N(C=C3)C)O)SC.CC(=O)O

Isomeric SMILES

CCC(C)(NCC(COC1=CC=CC2=C1C3=C(N2)C(=O)N(C=C3)C)O)SC.CC(=O)O

InChI

InChI=1S/C20H27N3O3S.C2H4O2/c1-5-20(2,27-4)21-11-13(24)12-26-16-8-6-7-15-17(16)14-9-10-23(3)19(25)18(14)22-15;1-2(3)4/h6-10,13,21-22,24H,5,11-12H2,1-4H3;1H3,(H,3,4)