5-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-(4-phenylphenyl)prop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)acryloyl]amino]phenyl]thio]propanoylamino]-2-chloro-benzoic acid Formula: C38H30ClN3O5S MolecularWeight: 676.1799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C(=CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)/C(=C/C3=CC=C(C=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C38H30ClN3O5S/c1-24(35(43)41-30-18-21-33(39)32(23-30)38(46)47)48-31-19-16-29(17-20-31)40-37(45)34(42-36(44)28-10-6-3-7-11-28)22-25-12-14-27(15-13-25)26-8-4-2-5-9-26/h2-24H,1H3,(H,40,45)(H,41,43)(H,42,44)(H,46,47)/b34-22-