1-[4-(5-bromanylthiophen-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(5-bromo-2-thienyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(5-bromo-2-thiophenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(5-bromothiophen-2-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(5-bromo-2-thienyl)-4-keto-butanoyl]proline Formula: C13H14BrNO4S MolecularWeight: 360.22356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(=O)C2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCC(=O)C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO4S/c14-11-5-4-10(20-11)9(16)3-6-12(17)15-7-1-2-8(15)13(18)19/h4-5,8H,1-3,6-7H2,(H,18,19)