methyl 3-[2-[[4-(2-methoxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[[4-(2-methoxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[4-(2-methoxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[4-(2-methoxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[4-(2-methoxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-(2-methoxyethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O5S/c1-29-12-11-26-19(14-31-18-9-4-3-5-10-18)24-25-22(26)32-15-20(27)23-17-8-6-7-16(13-17)21(28)30-2/h3-10,13H,11-12,14-15H2,1-2H3,(H,23,27)