1-[(E)-4-oxidanylidene-4-thiophen-2-yl-but-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-4-oxidanylidene-4-thiophen-2-yl-but-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-4-oxo-4-(2-thienyl)but-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-1,4-dioxo-4-thiophen-2-ylbut-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-4-oxo-4-thiophen-2-ylbut-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-4-keto-4-(2-thienyl)but-2-enoyl]proline Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC(=O)C2=CC=CS2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C(=O)C2=CC=CS2)C(=O)O

InChI

InChI=1S/C13H13NO4S/c15-10(11-4-2-8-19-11)5-6-12(16)14-7-1-3-9(14)13(17)18/h2,4-6,8-9H,1,3,7H2,(H,17,18)/b6-5+