methyl 4-[[2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylbenzoate

Systemtic Name: methyl 4-[[2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylbenzoate Openeye Name: methyl 4-[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylbenzoate CAS Name: 4-[[[2-hydroxy-1-oxo-3-[2-(8-phenyloctyl)phenyl]propyl]amino]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylbenzoate Traditional Name: 4-[[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]thio]benzoic acid methyl ester Formula: C31H37NO4S MolecularWeight: 519.69478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SNC(=O)C(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SNC(=O)C(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C31H37NO4S/c1-36-31(35)26-19-21-28(22-20-26)37-32-30(34)29(33)23-27-18-12-11-17-25(27)16-10-5-3-2-4-7-13-24-14-8-6-9-15-24/h6,8-9,11-12,14-15,17-22,29,33H,2-5,7,10,13,16,23H2,1H3,(H,32,34)