2-[2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]acetic acid CAS Name: 2-[2-methyl-1-[2-(methylthio)-4-quinazolinyl]-3-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-[2-(methylthio)quinazolin-4-yl]indol-3-yl]acetic acid Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C3=NC(=NC4=CC=CC=C43)SC)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C3=NC(=NC4=CC=CC=C43)SC)CC(=O)O

InChI

InChI=1S/C20H17N3O2S/c1-12-15(11-18(24)25)13-7-4-6-10-17(13)23(12)19-14-8-3-5-9-16(14)21-20(22-19)26-2/h3-10H,11H2,1-2H3,(H,24,25)