2-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]hexanoic acid IUPAC Name: 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[4-keto-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]hexanoic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

InChI

InChI=1S/C23H23N3O3S/c1-3-4-13-18(22(28)29)30-23-25-19-15-10-6-7-11-16(15)24-20(19)21(27)26(23)17-12-8-5-9-14(17)2/h5-12,18,24H,3-4,13H2,1-2H3,(H,28,29)