(E)-5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-8-phenyl-oct-7-enoic acid

Systemtic Name: (E)-5-oxidanyl-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-8-phenyl-oct-7-enoic acid Openeye Name: (E)-5-hydroxy-6-[3-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-8-phenyl-oct-7-enoic acid CAS Name: (E)-5-hydroxy-6-[[3-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]thio]-8-phenyl-7-octenoic acid IUPAC Name: (E)-5-hydroxy-6-[3-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]sulfanyl-8-phenyloct-7-enoic acid Traditional Name: (E)-5-hydroxy-6-[[3-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]thio]-8-phenyl-oct-7-enoic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(CCCC(=O)O)O)SC2=CC=CC(=C2)NC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(C(CCCC(=O)O)O)SC2=CC=CC(=C2)NC(=O)CC(=O)O

InChI

InChI=1S/C23H25NO6S/c25-19(10-5-11-22(27)28)20(13-12-16-6-2-1-3-7-16)31-18-9-4-8-17(14-18)24-21(26)15-23(29)30/h1-4,6-9,12-14,19-20,25H,5,10-11,15H2,(H,24,26)(H,27,28)(H,29,30)/b13-12+