2-[2,5-dimethyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]acetic acid CAS Name: 2-[2,5-dimethyl-1-[2-(methylthio)-4-quinazolinyl]-3-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-1-[2-(methylthio)quinazolin-4-yl]indol-3-yl]acetic acid Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C3=NC(=NC4=CC=CC=C43)SC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C3=NC(=NC4=CC=CC=C43)SC

InChI

InChI=1S/C21H19N3O2S/c1-12-8-9-18-16(10-12)15(11-19(25)26)13(2)24(18)20-14-6-4-5-7-17(14)22-21(23-20)27-3/h4-10H,11H2,1-3H3,(H,25,26)