methyl 3-[(E)-cyano-(4-oxidanylidene-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-cyano-(4-oxidanylidene-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoate CAS Name: 3-[[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl]sulfanylpropanoate Traditional Name: 3-[[(E)-cyano-(4-keto-1H-quinazolin-2-ylidene)methyl]thio]propionic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c1-20-12(18)6-7-21-11(8-15)13-16-10-5-3-2-4-9(10)14(19)17-13/h2-5,16H,6-7H2,1H3,(H,17,19)/b13-11+