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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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