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

Systemtic Name: methyl 3-[2-[[5-[[(4-methoxyphenyl)carbonylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-methyl-5-[(p-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N5O5S/c1-27-18(12-23-20(29)14-7-9-17(31-2)10-8-14)25-26-22(27)33-13-19(28)24-16-6-4-5-15(11-16)21(30)32-3/h4-11H,12-13H2,1-3H3,(H,23,29)(H,24,28)