2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3COC4=CC=CC=C4O3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O4S/c1-27-20-21-11-16(22(20)14-7-3-2-4-8-14)19(23)25-13-15-12-24-17-9-5-6-10-18(17)26-15/h2-11,15H,12-13H2,1H3