methyl 1-cycloheptyl-2-[(E)-2-phenylethenyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: methyl 1-cycloheptyl-2-[(E)-2-phenylethenyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: methyl 1-cycloheptyl-2-[(E)-styryl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-cycloheptyl-2-[[(E)-2-phenylethenyl]thio]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-cycloheptyl-2-[(E)-2-phenylethenyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-cycloheptyl-2-[[(E)-styryl]thio]benzimidazole-5-carboxylic acid methyl ester Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)SC=CC3=CC=CC=C3)C4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)S/C=C/C3=CC=CC=C3)C4CCCCCC4

InChI

InChI=1S/C24H26N2O2S/c1-28-23(27)19-13-14-22-21(17-19)25-24(26(22)20-11-7-2-3-8-12-20)29-16-15-18-9-5-4-6-10-18/h4-6,9-10,13-17,20H,2-3,7-8,11-12H2,1H3/b16-15+