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

Systemtic Name: dimethyl 2-bromanyl-5-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)hexanedioate Openeye Name: dimethyl 2-bromo-5-[5-(2-thienyl)tetrazol-2-yl]hexanedioate CAS Name: 2-bromo-5-(5-thiophen-2-yl-2-tetrazolyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-5-(5-thiophen-2-yltetrazol-2-yl)hexanedioate Traditional Name: 2-bromo-5-[5-(2-thienyl)tetrazol-2-yl]adipic acid dimethyl ester Formula: C13H15BrN4O4S MolecularWeight: 403.2516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)C2=CC=CS2

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)C2=CC=CS2

InChI

InChI=1S/C13H15BrN4O4S/c1-21-12(19)8(14)5-6-9(13(20)22-2)18-16-11(15-17-18)10-4-3-7-23-10/h3-4,7-9H,5-6H2,1-2H3