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

Systemtic Name: 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperidine-4-carboxylic acid Openeye Name: 1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)isonipecotic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C15H19NO3S/c17-14(16-7-5-10(6-8-16)15(18)19)12-9-20-13-4-2-1-3-11(12)13/h9-10H,1-8H2,(H,18,19)