2-[7-fluoranyl-1-(4-methylsulfanylphenyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid

Systemtic Name: 2-[7-fluoranyl-1-(4-methylsulfanylphenyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid Openeye Name: 2-[7-fluoro-1-(4-methylsulfanylphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid CAS Name: 2-[7-fluoro-1-[4-(methylthio)phenyl]-5-pyrimido[1,6-a]indolyl]acetic acid IUPAC Name: 2-[7-fluoro-1-(4-methylsulfanylphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid Traditional Name: 2-[7-fluoro-1-[4-(methylthio)phenyl]pyrimid[1,6-a]indol-5-yl]acetic acid Formula: C20H15FN2O2S MolecularWeight: 366.408703

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC=CC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC=CC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O

InChI

InChI=1S/C20H15FN2O2S/c1-26-14-5-2-12(3-6-14)20-22-9-8-18-16(11-19(24)25)15-10-13(21)4-7-17(15)23(18)20/h2-10H,11H2,1H3,(H,24,25)