methyl 4-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylbenzoate

Systemtic Name: methyl 4-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylbenzoate Openeye Name: methyl 4-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylbenzoate CAS Name: 4-[[[1-oxo-3-[2-(8-phenyloctyl)phenyl]propyl]amino]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(8-phenyloctyl)phenyl]propanoylamino]sulfanylbenzoate Traditional Name: 4-[[3-[2-(8-phenyloctyl)phenyl]propanoylamino]thio]benzoic acid methyl ester Formula: C31H37NO3S MolecularWeight: 503.69538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SNC(=O)CCC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SNC(=O)CCC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C31H37NO3S/c1-35-31(34)28-19-22-29(23-20-28)36-32-30(33)24-21-27-18-12-11-17-26(27)16-10-5-3-2-4-7-13-25-14-8-6-9-15-25/h6,8-9,11-12,14-15,17-20,22-23H,2-5,7,10,13,16,21,24H2,1H3,(H,32,33)