methyl 2-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)acryloyl]amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C39H33N3O6S MolecularWeight: 671.76082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1/C=C(/C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)OC)\NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H33N3O6S/c1-47-34-20-12-9-17-28(34)25-33(42-36(43)27-15-7-4-8-16-27)37(44)40-29-21-23-30(24-22-29)49-35(26-13-5-3-6-14-26)38(45)41-32-19-11-10-18-31(32)39(46)48-2/h3-25,35H,1-2H3,(H,40,44)(H,41,45)(H,42,43)/b33-25-