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

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoic acid Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanoic acid IUPAC Name: 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]propionic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CC(C(=O)O)SC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C14H14N2O3S/c1-3-8-16-12(17)10-6-4-5-7-11(10)15-14(16)20-9(2)13(18)19/h3-7,9H,1,8H2,2H3,(H,18,19)