3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoate

Systemtic Name: 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoate Openeye Name: 3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoate CAS Name: 3-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanoate IUPAC Name: 3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoate Traditional Name: 3-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c1-14-11(17)8-4-2-3-5-9(8)13-12(14)18-7-6-10(15)16/h2-5H,6-7H2,1H3,(H,15,16)/p-1