methyl 3-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)COC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H26N4O4S/c1-5-27-19(13-31-21-15(2)8-6-9-16(21)3)25-26-23(27)32-14-20(28)24-18-11-7-10-17(12-18)22(29)30-4/h6-12H,5,13-14H2,1-4H3,(H,24,28)