2-[[3-(2,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[3-(2,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetate IUPAC Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-(2,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetate Formula: C20H16N3O3S- MolecularWeight: 378.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)[O-]

InChI

InChI=1S/C20H17N3O3S/c1-11-7-8-12(2)15(9-11)23-19(26)18-17(22-20(23)27-10-16(24)25)13-5-3-4-6-14(13)21-18/h3-9,21H,10H2,1-2H3,(H,24,25)/p-1