1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)proline Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C14H17NO3S/c16-13(15-7-3-5-11(15)14(17)18)10-8-19-12-6-2-1-4-9(10)12/h8,11H,1-7H2,(H,17,18)