ethyl 2-[5-methyl-1-(phenylmethyl)imidazol-4-yl]-5-oxidanylidene-1,3-dithiane-4-carboxylate

Systemtic Name: ethyl 2-[5-methyl-1-(phenylmethyl)imidazol-4-yl]-5-oxidanylidene-1,3-dithiane-4-carboxylate Openeye Name: ethyl 2-(1-benzyl-5-methyl-imidazol-4-yl)-5-oxo-1,3-dithiane-4-carboxylate CAS Name: 2-[5-methyl-1-(phenylmethyl)-4-imidazolyl]-5-oxo-1,3-dithiane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-5-methylimidazol-4-yl)-5-oxo-1,3-dithiane-4-carboxylate Traditional Name: 2-(1-benzyl-5-methyl-imidazol-4-yl)-5-keto-1,3-dithiane-4-carboxylic acid ethyl ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)CSC(S1)C2=C(N(C=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1C(=O)CSC(S1)C2=C(N(C=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H20N2O3S2/c1-3-23-17(22)16-14(21)10-24-18(25-16)15-12(2)20(11-19-15)9-13-7-5-4-6-8-13/h4-8,11,16,18H,3,9-10H2,1-2H3