1-(5-acetamidothiophen-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-acetamidothiophen-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-acetamidothiophene-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(5-acetamido-2-thiophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-acetamidothiophene-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-acetamidothiophene-2-carbonyl)nipecotic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-8(16)14-11-5-4-10(20-11)12(17)15-6-2-3-9(7-15)13(18)19/h4-5,9H,2-3,6-7H2,1H3,(H,14,16)(H,18,19)