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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C(=CC4=CC=CC=C4OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CC=CC=C4OC)/NC(=O)C5=CC=CC=C5

InChI

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