[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C27H33NO4S/c1-19-14-15-20(2)23(16-19)24(29)17-32-27(31)22-12-8-9-13-25(22)33-18-26(30)28-21-10-6-4-3-5-7-11-21/h8-9,12-16,21H,3-7,10-11,17-18H2,1-2H3,(H,28,30)