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

Systemtic Name: 2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]hexanoic acid IUPAC Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]hexanoic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

InChI

InChI=1S/C23H23N3O4S/c1-3-4-13-18(22(28)29)31-23-25-19-14-9-5-6-10-15(14)24-20(19)21(27)26(23)16-11-7-8-12-17(16)30-2/h5-12,18,24H,3-4,13H2,1-2H3,(H,28,29)