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

Systemtic Name: 1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(5-bromo-2-thienyl)acryloyl]proline Formula: C12H12BrNO3S MolecularWeight: 330.19758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO3S/c13-10-5-3-8(18-10)4-6-11(15)14-7-1-2-9(14)12(16)17/h3-6,9H,1-2,7H2,(H,16,17)/b6-4+