1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(5-bromo-2-thienyl)acryloyl]-4-hydroxy-proline Formula: C12H12BrNO4S MolecularWeight: 346.19698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C=CC2=CC=C(S2)Br)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)/C=C/C2=CC=C(S2)Br)O

InChI

InChI=1S/C12H12BrNO4S/c13-10-3-1-8(19-10)2-4-11(16)14-6-7(15)5-9(14)12(17)18/h1-4,7,9,15H,5-6H2,(H,17,18)/b4-2+