2-thiophen-2-ylethyl 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: 2-thiophen-2-ylethyl 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: 2-(2-thienyl)ethyl 4-(2H-tetrazol-5-yl)benzoate CAS Name: 4-(2H-tetrazol-5-yl)benzoic acid 2-thiophen-2-ylethyl ester IUPAC Name: 2-thiophen-2-ylethyl 4-(2H-tetrazol-5-yl)benzoate Traditional Name: 4-(2H-tetrazol-5-yl)benzoic acid 2-(2-thienyl)ethyl ester Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCOC(=O)C2=CC=C(C=C2)C3=NNN=N3

Isomeric SMILES

C1=CSC(=C1)CCOC(=O)C2=CC=C(C=C2)C3=NNN=N3

InChI

InChI=1S/C14H12N4O2S/c19-14(20-8-7-12-2-1-9-21-12)11-5-3-10(4-6-11)13-15-17-18-16-13/h1-6,9H,7-8H2,(H,15,16,17,18)