2-(1-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-methyl-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(1-methyl-4-oxo-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(1-methyl-4-oxoquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-keto-1-methyl-quinazolin-2-yl)thio]acetic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1SCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1SCC(=O)O

InChI

InChI=1S/C11H10N2O3S/c1-13-8-5-3-2-4-7(8)10(16)12-11(13)17-6-9(14)15/h2-5H,6H2,1H3,(H,14,15)