(6-chloranyl-1,3-benzodioxol-5-yl)methyl 2-propyl-4-sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl 2-propyl-4-sulfanyl-1H-imidazole-5-carboxylate Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl 2-propyl-4-sulfanyl-1H-imidazole-5-carboxylate CAS Name: 4-mercapto-2-propyl-1H-imidazole-5-carboxylic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl 2-propyl-4-sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 4-mercapto-2-propyl-1H-imidazole-5-carboxylic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)S

Isomeric SMILES

CCCC1=NC(=C(N1)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)S

InChI

InChI=1S/C15H15ClN2O4S/c1-2-3-12-17-13(14(23)18-12)15(19)20-6-8-4-10-11(5-9(8)16)22-7-21-10/h4-5,23H,2-3,6-7H2,1H3,(H,17,18)