2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetate CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]acetate IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]acetate Formula: C11H9N2O3S- MolecularWeight: 249.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC(=O)[O-]

InChI

InChI=1S/C11H10N2O3S/c14-10(15)6-17-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)/p-1