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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-benzyltetrazol-5-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(1-benzyltetrazol-5-yl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H21N5O5S/c1-28-16-9-14(19(27)30-3)15(10-17(16)29-2)21-18(26)12-31-20-22-23-24-25(20)11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,21,26)