methyl 3-fluoranyl-4-[[[2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-fluoranyl-4-[[[2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylmethyl]benzoate Openeye Name: methyl 3-fluoro-4-[[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylmethyl]benzoate CAS Name: 3-fluoro-4-[[[[2-hydroxy-1-oxo-3-[2-(8-phenyloctyl)phenyl]propyl]amino]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-fluoro-4-[[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylmethyl]benzoate Traditional Name: 3-fluoro-4-[[[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]thio]methyl]benzoic acid methyl ester Formula: C32H38FNO4S MolecularWeight: 551.711823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CSNC(=O)C(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)O)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CSNC(=O)C(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)O)F

InChI

InChI=1S/C32H38FNO4S/c1-38-32(37)27-19-20-28(29(33)21-27)23-39-34-31(36)30(35)22-26-18-12-11-17-25(26)16-10-5-3-2-4-7-13-24-14-8-6-9-15-24/h6,8-9,11-12,14-15,17-21,30,35H,2-5,7,10,13,16,22-23H2,1H3,(H,34,36)