methyl 3-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylpropanoate

Systemtic Name: methyl 3-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylpropanoate Openeye Name: methyl 3-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylpropanoate CAS Name: 3-[[[1-oxo-3-[2-(8-phenyloctyl)phenyl]propyl]amino]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylpropanoate Traditional Name: 3-[[3-[2-(8-phenyloctyl)phenyl]propanoylamino]thio]propionic acid methyl ester Formula: C27H37NO3S MolecularWeight: 455.65258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSNC(=O)CCC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSNC(=O)CCC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C27H37NO3S/c1-31-27(30)21-22-32-28-26(29)20-19-25-18-12-11-17-24(25)16-10-5-3-2-4-7-13-23-14-8-6-9-15-23/h6,8-9,11-12,14-15,17-18H,2-5,7,10,13,16,19-22H2,1H3,(H,28,29)