[5-(2-octan-4-ylthiophen-3-yl)-1,2,3,4-tetrazol-1-yl] ethanoate

Systemtic Name: [5-(2-octan-4-ylthiophen-3-yl)-1,2,3,4-tetrazol-1-yl] ethanoate Openeye Name: [5-[2-(1-propylpentyl)-3-thienyl]tetrazol-1-yl] acetate CAS Name: acetic acid [5-(2-octan-4-yl-3-thiophenyl)-1-tetrazolyl] ester IUPAC Name: [5-(2-octan-4-ylthiophen-3-yl)tetrazol-1-yl] acetate Traditional Name: acetic acid [5-[2-(1-propylpentyl)-3-thienyl]tetrazol-1-yl] ester Formula: C15H22N4O2S MolecularWeight: 322.42578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C=CS1)C2=NN=NN2OC(=O)C

Isomeric SMILES

CCCCC(CCC)C1=C(C=CS1)C2=NN=NN2OC(=O)C

InChI

InChI=1S/C15H22N4O2S/c1-4-6-8-12(7-5-2)14-13(9-10-22-14)15-16-17-18-19(15)21-11(3)20/h9-10,12H,4-8H2,1-3H3