2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]acetic acid IUPAC Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]acetic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)O)OC

InChI

InChI=1S/C13H14N2O5S/c1-19-9-3-7-8(4-10(9)20-2)14-11(15-13(7)18)5-21-6-12(16)17/h3-4H,5-6H2,1-2H3,(H,16,17)(H,14,15,18)