1-[3-(1,2,3,4-tetrazol-1-yl)thiophen-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(1,2,3,4-tetrazol-1-yl)thiophen-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[3-(1-tetrazolyl)-2-thiophenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]isonipecotic acid Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=C(C=CS2)N3C=NN=N3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=C(C=CS2)N3C=NN=N3

InChI

InChI=1S/C12H13N5O3S/c18-11(16-4-1-8(2-5-16)12(19)20)10-9(3-6-21-10)17-7-13-14-15-17/h3,6-8H,1-2,4-5H2,(H,19,20)