ethyl 2-oxidanylidene-5-(pyridin-2-ylsulfanylmethyl)-1,3-dihydroimidazole-4-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-5-(pyridin-2-ylsulfanylmethyl)-1,3-dihydroimidazole-4-carboxylate Openeye Name: ethyl 2-oxo-5-(2-pyridylsulfanylmethyl)-1,3-dihydroimidazole-4-carboxylate CAS Name: 2-oxo-5-[(2-pyridinylthio)methyl]-1,3-dihydroimidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-5-(pyridin-2-ylsulfanylmethyl)-1,3-dihydroimidazole-4-carboxylate Traditional Name: 2-keto-5-[(2-pyridylthio)methyl]-4-imidazoline-4-carboxylic acid ethyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N1)CSC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N1)CSC2=CC=CC=N2

InChI

InChI=1S/C12H13N3O3S/c1-2-18-11(16)10-8(14-12(17)15-10)7-19-9-5-3-4-6-13-9/h3-6H,2,7H2,1H3,(H2,14,15,17)