ethyl 4-methyl-1-(phenylmethoxymethyl)-5-phenylsulfanyl-imidazole-2-carboxylate nitrate

Systemtic Name: ethyl 4-methyl-1-(phenylmethoxymethyl)-5-phenylsulfanyl-imidazole-2-carboxylate nitrate Openeye Name: ethyl 1-(benzyloxymethyl)-4-methyl-5-phenylsulfanyl-imidazole-2-carboxylate nitrate CAS Name: 4-methyl-1-(phenylmethoxymethyl)-5-(phenylthio)-2-imidazolecarboxylic acid ethyl ester nitrate IUPAC Name: ethyl 4-methyl-1-(phenylmethoxymethyl)-5-phenylsulfanylimidazole-2-carboxylate nitrate Traditional Name: 1-(benzoxymethyl)-4-methyl-5-(phenylthio)imidazole-2-carboxylic acid ethyl ester nitrate Formula: C21H22N3O6S- MolecularWeight: 444.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C(N1COCC2=CC=CC=C2)SC3=CC=CC=C3)C.[N+](=O)([O-])[O-]

Isomeric SMILES

CCOC(=O)C1=NC(=C(N1COCC2=CC=CC=C2)SC3=CC=CC=C3)C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H22N2O3S.NO3/c1-3-26-21(24)19-22-16(2)20(27-18-12-8-5-9-13-18)23(19)15-25-14-17-10-6-4-7-11-17;2-1(3)4/h4-13H,3,14-15H2,1-2H3;/q;-1