2-[(E)-cyano-(4-oxidanylidene-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoic acid

Systemtic Name: 2-[(E)-cyano-(4-oxidanylidene-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoic acid Openeye Name: 2-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoic acid CAS Name: 2-[[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]thio]propanoic acid IUPAC Name: 2-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoic acid Traditional Name: 2-[[(E)-cyano-(4-keto-1H-quinazolin-2-ylidene)methyl]thio]propionic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC(=C1NC2=CC=CC=C2C(=O)N1)C#N

Isomeric SMILES

CC(C(=O)O)S/C(=C/1\NC2=CC=CC=C2C(=O)N1)/C#N

InChI

InChI=1S/C13H11N3O3S/c1-7(13(18)19)20-10(6-14)11-15-9-5-3-2-4-8(9)12(17)16-11/h2-5,7,15H,1H3,(H,16,17)(H,18,19)/b11-10+