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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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