dimethyl 2-bromanyl-5-[5-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-2-yl]hexanedioate

Systemtic Name: dimethyl 2-bromanyl-5-[5-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-2-yl]hexanedioate Openeye Name: dimethyl 2-bromo-5-[5-(2-thienylmethyl)tetrazol-2-yl]hexanedioate CAS Name: 2-bromo-5-[5-(thiophen-2-ylmethyl)-2-tetrazolyl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-5-[5-(thiophen-2-ylmethyl)tetrazol-2-yl]hexanedioate Traditional Name: 2-bromo-5-[5-(2-thenyl)tetrazol-2-yl]adipic acid dimethyl ester Formula: C14H17BrN4O4S MolecularWeight: 417.27818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)CC2=CC=CS2

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)CC2=CC=CS2

InChI

InChI=1S/C14H17BrN4O4S/c1-22-13(20)10(15)5-6-11(14(21)23-2)19-17-12(16-18-19)8-9-4-3-7-24-9/h3-4,7,10-11H,5-6,8H2,1-2H3