methyl 3-methyl-2-[2-(phenylsulfonyl)ethylsulfanyl]imidazole-4-carboxylate

Systemtic Name: methyl 3-methyl-2-[2-(phenylsulfonyl)ethylsulfanyl]imidazole-4-carboxylate Openeye Name: methyl 2-[2-(benzenesulfonyl)ethylsulfanyl]-3-methyl-imidazole-4-carboxylate CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzenesulfonyl)ethylsulfanyl]-3-methylimidazole-4-carboxylate Traditional Name: 2-(2-besylethylthio)-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCCS(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SCCS(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H16N2O4S2/c1-16-12(13(17)20-2)10-15-14(16)21-8-9-22(18,19)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3