2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetic acid IUPAC Name: 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetic acid Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)O

InChI

InChI=1S/C20H17N3O4S/c1-11-7-8-15(27-2)14(9-11)23-19(26)18-17(22-20(23)28-10-16(24)25)12-5-3-4-6-13(12)21-18/h3-9,21H,10H2,1-2H3,(H,24,25)