(2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C18H17BrN2O4S/c19-11-9-14-15(25-7-6-24-14)10-12(11)20-17(22)13-3-1-5-21(13)18(23)16-4-2-8-26-16/h2,4,8-10,13H,1,3,5-7H2,(H,20,22)/t13-/m0/s1