methyl 2-[4-(4-oxidanylidene-2-propylsulfanyl-quinazolin-3-yl)phenyl]propanoate

Systemtic Name: methyl 2-[4-(4-oxidanylidene-2-propylsulfanyl-quinazolin-3-yl)phenyl]propanoate Openeye Name: methyl 2-[4-(4-oxo-2-propylsulfanyl-quinazolin-3-yl)phenyl]propanoate CAS Name: 2-[4-[4-oxo-2-(propylthio)-3-quinazolinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-oxo-2-propylsulfanylquinazolin-3-yl)phenyl]propanoate Traditional Name: 2-[4-[4-keto-2-(propylthio)quinazolin-3-yl]phenyl]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC

Isomeric SMILES

CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-4-13-27-21-22-18-8-6-5-7-17(18)19(24)23(21)16-11-9-15(10-12-16)14(2)20(25)26-3/h5-12,14H,4,13H2,1-3H3