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

Systemtic Name: methyl 2-[(E)-cyano-(4-oxidanylidene-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoate Openeye Name: methyl 2-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoate CAS Name: 2-[[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoate Traditional Name: 2-[[(E)-cyano-(4-keto-1H-quinazolin-2-ylidene)methyl]thio]propionic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c1-8(14(19)20-2)21-11(7-15)12-16-10-6-4-3-5-9(10)13(18)17-12/h3-6,8,16H,1-2H3,(H,17,18)/b12-11+