[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[5-(2-thienyl)tetrazol-2-yl]acetate CAS Name: 2-(5-thiophen-2-yl-2-tetrazolyl)acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(2-thienyl)tetrazol-2-yl]acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CN2N=C(N=N2)C3=CC=CS3

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CN2N=C(N=N2)C3=CC=CS3

InChI

InChI=1S/C16H21N5O3S/c22-14(20-8-4-2-1-3-5-9-20)12-24-15(23)11-21-18-16(17-19-21)13-7-6-10-25-13/h6-7,10H,1-5,8-9,11-12H2