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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C16H14N4O3S/c21-14(15-4-2-10-24-15)3-1-9-23-16(22)12-5-7-13(8-6-12)20-11-17-18-19-20/h2,4-8,10-11H,1,3,9H2