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

Systemtic Name: methyl 4-[2-[[5-[1-[(3-methoxyphenyl)carbonylamino]-2-oxidanyl-ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-[2-hydroxy-1-[(3-methoxybenzoyl)amino]ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[2-hydroxy-1-[[(3-methoxyphenyl)-oxomethyl]amino]ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[5-[2-hydroxy-1-[(3-methoxybenzoyl)amino]ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-[2-hydroxy-1-(m-anisoylamino)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C28H27N5O6S MolecularWeight: 561.60888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(CO)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(CO)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H27N5O6S/c1-38-22-10-6-7-19(15-22)26(36)30-23(16-34)25-31-32-28(33(25)21-8-4-3-5-9-21)40-17-24(35)29-20-13-11-18(12-14-20)27(37)39-2/h3-15,23,34H,16-17H2,1-2H3,(H,29,35)(H,30,36)