1-[4-(1-benzothiophen-3-yl)-3-bromanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(1-benzothiophen-3-yl)-3-bromanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(benzothiophen-3-yl)-3-bromo-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(1-benzothiophen-3-yl)-3-bromo-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(1-benzothiophen-3-yl)-3-bromo-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzothiophen-3-yl)-3-bromo-4-keto-butanoyl]proline Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CSC3=CC=CC=C32)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CSC3=CC=CC=C32)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO4S/c18-12(8-15(20)19-7-3-5-13(19)17(22)23)16(21)11-9-24-14-6-2-1-4-10(11)14/h1-2,4,6,9,12-13H,3,5,7-8H2,(H,22,23)