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

Systemtic Name: 2-[[3-(2-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetate IUPAC Name: 2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-(2-fluorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetate Formula: C18H11FN3O3S- MolecularWeight: 368.361643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C18H12FN3O3S/c19-11-6-2-4-8-13(11)22-17(25)16-15(21-18(22)26-9-14(23)24)10-5-1-3-7-12(10)20-16/h1-8,20H,9H2,(H,23,24)/p-1