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

Systemtic Name: ethyl 4-[2-[[5-[(2-phenoxyethanoylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-[[(2-phenoxyacetyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[5-[[(1-oxo-2-phenoxyethyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-[[(2-phenoxyacetyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-[[(2-phenoxyacetyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H27N5O5S MolecularWeight: 545.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C28H27N5O5S/c1-2-37-27(36)20-13-15-21(16-14-20)30-26(35)19-39-28-32-31-24(33(28)22-9-5-3-6-10-22)17-29-25(34)18-38-23-11-7-4-8-12-23/h3-16H,2,17-19H2,1H3,(H,29,34)(H,30,35)