1-[(E)-4-(1-benzothiophen-3-yl)-4-oxidanylidene-but-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-4-(1-benzothiophen-3-yl)-4-oxidanylidene-but-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-4-(benzothiophen-3-yl)-4-oxo-but-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-4-(1-benzothiophen-3-yl)-1,4-dioxobut-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-4-(1-benzothiophen-3-yl)-4-oxobut-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-4-(benzothiophen-3-yl)-4-keto-but-2-enoyl]proline Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC(=O)C2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C(=O)C2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H15NO4S/c19-14(12-10-23-15-6-2-1-4-11(12)15)7-8-16(20)18-9-3-5-13(18)17(21)22/h1-2,4,6-8,10,13H,3,5,9H2,(H,21,22)/b8-7+