1-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]nipecotic acid Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NN=NN2C3CC3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NN=NN2C3CC3)C(=O)O

InChI

InChI=1S/C12H17N5O3S/c18-10(16-5-1-2-8(6-16)11(19)20)7-21-12-13-14-15-17(12)9-3-4-9/h8-9H,1-7H2,(H,19,20)