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

Systemtic Name: 1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(5-bromo-2-thienyl)acryloyl]-4-methoxy-proline Formula: C13H14BrNO4S MolecularWeight: 360.22356

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C=CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)/C=C/C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO4S/c1-19-8-6-10(13(17)18)15(7-8)12(16)5-3-9-2-4-11(14)20-9/h2-5,8,10H,6-7H2,1H3,(H,17,18)/b5-3+