4,5-dimethoxy-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4,5-dimethoxy-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4,5-dimethoxy-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoate IUPAC Name: 4,5-dimethoxy-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoate Formula: C18H16N5O5S- MolecularWeight: 414.41514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSC2=NN=NN2C3=CC=CC=C3)OC

InChI

InChI=1S/C18H17N5O5S/c1-27-14-8-12(17(25)26)13(9-15(14)28-2)19-16(24)10-29-18-20-21-22-23(18)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,24)(H,25,26)/p-1