(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCC(=O)C2=CC=CS2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCC(=O)C2=CC=CS2)N3C=NN=N3

InChI

InChI=1S/C16H14N4O3S/c21-14(15-8-4-10-24-15)7-3-9-23-16(22)12-5-1-2-6-13(12)20-11-17-18-19-20/h1-2,4-6,8,10-11H,3,7,9H2