3,4,5-trimethoxy-2-[[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-[[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 3,4,5-trimethoxy-2-[[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 3,4,5-trimethoxy-2-[[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3,4,5-trimethoxy-2-[[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 3,4,5-trimethoxy-2-[[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C15H19N5O6S MolecularWeight: 397.40626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NCC2=C(C(=C(C=C2C(=O)O)OC)OC)OC

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NCC2=C(C(=C(C=C2C(=O)O)OC)OC)OC

InChI

InChI=1S/C15H19N5O6S/c1-20-15(17-18-19-20)27-7-11(21)16-6-9-8(14(22)23)5-10(24-2)13(26-4)12(9)25-3/h5H,6-7H2,1-4H3,(H,16,21)(H,22,23)