methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(2-pyrimidinylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(2-pyrimidylthio)butyric acid methyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H14N4O3S/c1-23-15(22)13(12(21)9-24-16-17-7-4-8-18-16)14-19-10-5-2-3-6-11(10)20-14/h2-8,19-20H,9H2,1H3