2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methylsulfanyl]-2H-imidazole-1-carboxylic acid

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methylsulfanyl]-2H-imidazole-1-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methylsulfanyl]-2H-imidazole-1-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methylthio]-2H-imidazole-1-carboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methylsulfanyl]-2H-imidazole-1-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(p-anisylthio)-4-imidazoline-1-carboxylic acid Formula: C24H27ClN2O5S MolecularWeight: 490.99958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1CC2=CC3=C(C=C2Cl)OCO3)SCC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCCC1N(C=C(N1CC2=CC3=C(C=C2Cl)OCO3)SCC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C24H27ClN2O5S/c1-3-4-5-22-26(12-17-10-20-21(11-19(17)25)32-15-31-20)23(13-27(22)24(28)29)33-14-16-6-8-18(30-2)9-7-16/h6-11,13,22H,3-5,12,14-15H2,1-2H3,(H,28,29)