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

Systemtic Name: ethyl 3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanoate Openeye Name: ethyl 3-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-oxo-1H-quinazolin-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-keto-1H-quinazolin-2-yl)thio]propionic acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CCSC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C13H14N2O3S/c1-2-18-11(16)7-8-19-13-14-10-6-4-3-5-9(10)12(17)15-13/h3-6H,2,7-8H2,1H3,(H,14,15,17)