(4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O3S/c21-17(10-11-24-13-6-2-1-3-7-13)23-12-16-19-15-9-5-4-8-14(15)18(22)20-16/h1-9H,10-12H2,(H,19,20,22)