(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C28H35NO5S/c1-3-33-25-16-15-21(20(2)30)17-22(25)18-34-28(32)24-13-9-10-14-26(24)35-19-27(31)29-23-11-7-5-4-6-8-12-23/h9-10,13-17,23H,3-8,11-12,18-19H2,1-2H3,(H,29,31)