phenyl 3-[3-oxidanylidene-3-phenoxy-2-(2-phenylazanylphenyl)propyl]sulfanyl-2-(2-phenylazanylphenyl)propanoate

Systemtic Name: phenyl 3-[3-oxidanylidene-3-phenoxy-2-(2-phenylazanylphenyl)propyl]sulfanyl-2-(2-phenylazanylphenyl)propanoate Openeye Name: phenyl 2-(2-anilinophenyl)-3-[2-(2-anilinophenyl)-3-oxo-3-phenoxy-propyl]sulfanyl-propanoate CAS Name: 2-(2-anilinophenyl)-3-[[2-(2-anilinophenyl)-3-oxo-3-phenoxypropyl]thio]propanoic acid phenyl ester IUPAC Name: phenyl 2-(2-anilinophenyl)-3-[2-(2-anilinophenyl)-3-oxo-3-phenoxypropyl]sulfanylpropanoate Traditional Name: 2-(2-anilinophenyl)-3-[[2-(2-anilinophenyl)-3-keto-3-phenoxy-propyl]thio]propionic acid phenyl ester Formula: C42H36N2O4S MolecularWeight: 664.81124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2C(CSCC(C3=CC=CC=C3NC4=CC=CC=C4)C(=O)OC5=CC=CC=C5)C(=O)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2C(CSCC(C3=CC=CC=C3NC4=CC=CC=C4)C(=O)OC5=CC=CC=C5)C(=O)OC6=CC=CC=C6

InChI

InChI=1S/C42H36N2O4S/c45-41(47-33-21-9-3-10-22-33)37(35-25-13-15-27-39(35)43-31-17-5-1-6-18-31)29-49-30-38(42(46)48-34-23-11-4-12-24-34)36-26-14-16-28-40(36)44-32-19-7-2-8-20-32/h1-28,37-38,43-44H,29-30H2