2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C13H12N2O3S/c1-2-7-15-12(18)9-5-3-4-6-10(9)14-13(15)19-8-11(16)17/h2-6H,1,7-8H2,(H,16,17)