5-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)acryloyl]amino]phenyl]thio]-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid Formula: C38H31N3O7S MolecularWeight: 673.73364

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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(=C(C=C4)O)C(=O)O)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(=C(C=C4)O)C(=O)O)\NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C38H31N3O7S/c1-48-33-15-9-8-14-26(33)22-31(41-35(43)25-12-6-3-7-13-25)36(44)39-27-16-19-29(20-17-27)49-34(24-10-4-2-5-11-24)37(45)40-28-18-21-32(42)30(23-28)38(46)47/h2-23,34,42H,1H3,(H,39,44)(H,40,45)(H,41,43)(H,46,47)/b31-22-