1-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)pyrrolidine-2-carboxylic acid CAS Name: 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)proline Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2CS(=O)(=O)C3=CC=CC=C23)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2CS(=O)(=O)C3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C13H15NO4S/c15-13(16)10-5-3-7-14(10)11-8-19(17,18)12-6-2-1-4-9(11)12/h1-2,4,6,10-11H,3,5,7-8H2,(H,15,16)