ethyl (3S)-1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]nipecotic acid ethyl ester Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5O2S/c1-2-23-15(22)13-7-6-10-19(11-13)12-20-16(24)21(18-17-20)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3/t13-/m0/s1