ethyl 3-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]propanoate

Systemtic Name: ethyl 3-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]propanoate Openeye Name: ethyl 3-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]propanoate CAS Name: 3-[(4-oxo-1H-quinazolin-2-yl)methylthio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]propanoate Traditional Name: 3-[(4-keto-1H-quinazolin-2-yl)methylthio]propionic acid ethyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CCSCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C14H16N2O3S/c1-2-19-13(17)7-8-20-9-12-15-11-6-4-3-5-10(11)14(18)16-12/h3-6H,2,7-9H2,1H3,(H,15,16,18)