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

Systemtic Name: 2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetate IUPAC Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetate Formula: C19H14N3O4S- MolecularWeight: 380.39716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)[O-]

InChI

InChI=1S/C19H15N3O4S/c1-26-14-9-5-4-8-13(14)22-18(25)17-16(21-19(22)27-10-15(23)24)11-6-2-3-7-12(11)20-17/h2-9,20H,10H2,1H3,(H,23,24)/p-1