methyl 4-(7-bromanylspiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-(7-bromanylspiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-(7-bromospiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[(7-bromo-5-spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]yl)sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(7-bromospiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]-5-yl)sulfonyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(7-bromospiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]-5-yl)sulfonyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C19H21BrN2O4S3 MolecularWeight: 517.48004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=C3C(=C2)NC4(N3)CCCCC4)Br

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=C3C(=C2)NC4(N3)CCCCC4)Br

InChI

InChI=1S/C19H21BrN2O4S3/c1-26-17(23)14-10-15(18(27-2)28-14)29(24,25)11-8-12(20)16-13(9-11)21-19(22-16)6-4-3-5-7-19/h8-10,21-22H,3-7H2,1-2H3