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

Systemtic Name: butyl 3-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]propanoate Openeye Name: butyl 3-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]propanoate CAS Name: 3-[(4-oxo-1H-quinazolin-2-yl)methylthio]propanoic acid butyl ester IUPAC Name: butyl 3-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]propanoate Traditional Name: 3-[(4-keto-1H-quinazolin-2-yl)methylthio]propionic acid butyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-2-3-9-21-15(19)8-10-22-11-14-17-13-7-5-4-6-12(13)16(20)18-14/h4-7H,2-3,8-11H2,1H3,(H,17,18,20)