2-[1-(4-methylsulfanylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid

Systemtic Name: 2-[1-(4-methylsulfanylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid Openeye Name: 2-[1-(4-methylsulfanylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid CAS Name: 2-[1-[4-(methylthio)phenyl]-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid IUPAC Name: 2-[1-(4-methylsulfanylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid Traditional Name: 2-[1-[4-(methylthio)phenyl]-3,4-dihydropyrimid[1,6-a]indol-5-yl]acetic acid Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NCCC3=C(C4=CC=CC=C4N32)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NCCC3=C(C4=CC=CC=C4N32)CC(=O)O

InChI

InChI=1S/C20H18N2O2S/c1-25-14-8-6-13(7-9-14)20-21-11-10-18-16(12-19(23)24)15-4-2-3-5-17(15)22(18)20/h2-9H,10-12H2,1H3,(H,23,24)