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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=C1C=C(C=C2)OC)C3=NC(=NC4=CC=CC=C43)SC)C(=O)O

Isomeric SMILES

CC(C1=CN(C2=C1C=C(C=C2)OC)C3=NC(=NC4=CC=CC=C43)SC)C(=O)O

InChI

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