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

Systemtic Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]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]benzoic acid IUPAC Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)acryloyl]amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C38H31N3O6S MolecularWeight: 657.73424

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

InChI

InChI=1S/C38H31N3O6S/c1-47-33-18-9-8-15-27(33)24-32(41-35(42)26-13-6-3-7-14-26)36(43)39-29-19-21-31(22-20-29)48-34(25-11-4-2-5-12-25)37(44)40-30-17-10-16-28(23-30)38(45)46/h2-24,34H,1H3,(H,39,43)(H,40,44)(H,41,42)(H,45,46)/b32-24-