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

Systemtic Name: ethyl 4-[2-[[5-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-[(o-anisoylamino)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)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C28H27N5O5S/c1-3-38-27(36)19-13-15-20(16-14-19)30-25(34)18-39-28-32-31-24(33(28)21-9-5-4-6-10-21)17-29-26(35)22-11-7-8-12-23(22)37-2/h4-16H,3,17-18H2,1-2H3,(H,29,35)(H,30,34)