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

Systemtic Name: 2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]propanoic acid IUPAC Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]propionic acid Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-11(19(25)26)28-20-22-16-12-7-3-4-8-13(12)21-17(16)18(24)23(20)14-9-5-6-10-15(14)27-2/h3-11,21H,1-2H3,(H,25,26)