phenacyl 2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: phenacyl 2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: phenacyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[(1-o-phenetyltetrazol-5-yl)thio]acetic acid phenacyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4S/c1-2-26-17-11-7-6-10-15(17)23-19(20-21-22-23)28-13-18(25)27-12-16(24)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3