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

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-propan-2-ylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-isopropylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(propan-2-ylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-propan-2-ylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(isopropylthio)imidazole-4-carboxylic acid Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC(C)C

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC(C)C

InChI

InChI=1S/C19H23ClN2O4S/c1-4-5-6-16-21-18(27-11(2)3)17(19(23)24)22(16)9-12-7-14-15(8-13(12)20)26-10-25-14/h7-8,11H,4-6,9-10H2,1-3H3,(H,23,24)