3-[(7-methoxy-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(7-methoxy-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(7-methoxy-4-oxo-quinazolin-3-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(7-methoxy-4-oxo-3-quinazolinyl)methylthio]propanoic acid IUPAC Name: 3-[(7-methoxy-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-keto-7-methoxy-quinazolin-3-yl)methylthio]propionic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=N2)CSCCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=N2)CSCCC(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-19-9-2-3-10-11(6-9)14-7-15(13(10)18)8-20-5-4-12(16)17/h2-3,6-7H,4-5,8H2,1H3,(H,16,17)