phenacyl 3-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)propanoate

Systemtic Name: phenacyl 3-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)propanoate Openeye Name: phenacyl 3-[5-(2-thienyl)tetrazol-2-yl]propanoate CAS Name: 3-(5-thiophen-2-yl-2-tetrazolyl)propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(5-thiophen-2-yltetrazol-2-yl)propanoate Traditional Name: 3-[5-(2-thienyl)tetrazol-2-yl]propionic acid phenacyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCN2N=C(N=N2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCN2N=C(N=N2)C3=CC=CS3

InChI

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