2-[5-methoxy-2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-1-[2-(methylthio)-4-quinazolinyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]acetic acid Traditional Name: 2-[5-methoxy-2-methyl-1-[2-(methylthio)quinazolin-4-yl]indol-3-yl]acetic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=NC(=NC4=CC=CC=C43)SC)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C3=NC(=NC4=CC=CC=C43)SC)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C21H19N3O3S/c1-12-15(11-19(25)26)16-10-13(27-2)8-9-18(16)24(12)20-14-6-4-5-7-17(14)22-21(23-20)28-3/h4-10H,11H2,1-3H3,(H,25,26)