1,3-benzodioxol-5-yl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O5S/c1-23-9-8-21-20(23)29-11-18(24)22-14-4-2-13(3-5-14)19(25)28-15-6-7-16-17(10-15)27-12-26-16/h2-10H,11-12H2,1H3,(H,22,24)