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

Systemtic Name: methyl 2-[5-methoxy-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]propanoate Openeye Name: methyl 2-[5-methoxy-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]propanoate CAS Name: 2-[5-methoxy-1-[2-(methylthio)-4-quinazolinyl]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[5-methoxy-1-(2-methylsulfanylquinazolin-4-yl)indol-3-yl]propanoate Traditional Name: 2-[5-methoxy-1-[2-(methylthio)quinazolin-4-yl]indol-3-yl]propionic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-13(21(26)28-3)17-12-25(19-10-9-14(27-2)11-16(17)19)20-15-7-5-6-8-18(15)23-22(24-20)29-4/h5-13H,1-4H3