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

Systemtic Name: methyl 3-methoxy-4-[[[2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylmethyl]-3-methoxy-benzoate CAS Name: 4-[[[[2-hydroxy-1-oxo-3-[2-(8-phenyloctyl)phenyl]propyl]amino]thio]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]sulfanylmethyl]-3-methoxybenzoate Traditional Name: 4-[[[[2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]amino]thio]methyl]-3-methoxy-benzoic acid methyl ester Formula: C33H41NO5S MolecularWeight: 563.74734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CSNC(=O)C(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CSNC(=O)C(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C33H41NO5S/c1-38-31-23-28(33(37)39-2)20-21-29(31)24-40-34-32(36)30(35)22-27-19-13-12-18-26(27)17-11-6-4-3-5-8-14-25-15-9-7-10-16-25/h7,9-10,12-13,15-16,18-21,23,30,35H,3-6,8,11,14,17,22,24H2,1-2H3,(H,34,36)