1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(3-chlorobenzothiophene-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-chlorobenzothiophene-2-carbonyl)nipecotic acid Formula: C15H14ClNO3S MolecularWeight: 323.79456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

InChI

InChI=1S/C15H14ClNO3S/c16-12-10-5-1-2-6-11(10)21-13(12)14(18)17-7-3-4-9(8-17)15(19)20/h1-2,5-6,9H,3-4,7-8H2,(H,19,20)