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

Systemtic Name: dimethyl 2-azido-5-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)hexanedioate Openeye Name: dimethyl 2-azido-5-[5-(2-thienyl)tetrazol-2-yl]hexanedioate CAS Name: 2-azido-5-(5-thiophen-2-yl-2-tetrazolyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-azido-5-(5-thiophen-2-yltetrazol-2-yl)hexanedioate Traditional Name: 2-azido-5-[5-(2-thienyl)tetrazol-2-yl]adipic acid dimethyl ester Formula: C13H15N7O4S MolecularWeight: 365.3677

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)N1N=C(N=N1)C2=CC=CS2)N=[N+]=[N-]

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)N1N=C(N=N1)C2=CC=CS2)N=[N+]=[N-]

InChI

InChI=1S/C13H15N7O4S/c1-23-12(21)8(15-18-14)5-6-9(13(22)24-2)20-17-11(16-19-20)10-4-3-7-25-10/h3-4,7-9H,5-6H2,1-2H3