ethyl 1-(2-hydroxyethyloxymethyl)-5-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]imidazole-4-carboxylate

Systemtic Name: ethyl 1-(2-hydroxyethyloxymethyl)-5-[[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]amino]imidazole-4-carboxylate Openeye Name: ethyl 5-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-1-(2-hydroxyethoxymethyl)imidazole-4-carboxylate CAS Name: 5-[[benzoylimino-(methylthio)methyl]amino]-1-(2-hydroxyethoxymethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(N-benzoyl-C-methylsulfanylcarbonimidoyl)amino]-1-(2-hydroxyethoxymethyl)imidazole-4-carboxylate Traditional Name: 5-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-1-(2-hydroxyethoxymethyl)imidazole-4-carboxylic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)COCCO)NC(=NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)COCCO)NC(=NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C18H22N4O5S/c1-3-27-17(25)14-15(22(11-19-14)12-26-10-9-23)20-18(28-2)21-16(24)13-7-5-4-6-8-13/h4-8,11,23H,3,9-10,12H2,1-2H3,(H,20,21,24)