(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H18BrNO5S MolecularWeight: 452.31892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H18BrNO5S/c20-13-10-16-15(24-6-7-25-16)9-12(13)11-26-19(23)14-3-1-5-21(14)18(22)17-4-2-8-27-17/h2,4,8-10,14H,1,3,5-7,11H2