2-(6,7-dimethoxy-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(6,7-dimethoxy-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-(3-allyl-6,7-dimethoxy-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(6,7-dimethoxy-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(6,7-dimethoxy-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-allyl-4-keto-6,7-dimethoxy-quinazolin-2-yl)thio]acetic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)CC=C)OC

InChI

InChI=1S/C15H16N2O5S/c1-4-5-17-14(20)9-6-11(21-2)12(22-3)7-10(9)16-15(17)23-8-13(18)19/h4,6-7H,1,5,8H2,2-3H3,(H,18,19)