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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=C1NC2=CC=CC=C2C(=O)N1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c1-19-11(17)7-20-10(6-14)12-15-9-5-3-2-4-8(9)13(18)16-12/h2-5,15H,7H2,1H3,(H,16,18)/b12-10+