ethyl 1-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3S/c1-2-25-16(24)13-7-6-10-21(11-13)15(23)12-26-17-18-19-20-22(17)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3