[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C21H30N2O4S MolecularWeight: 406.5389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2

Isomeric SMILES

CN(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C21H30N2O4S/c1-23(2)20(25)14-27-21(26)17-12-8-9-13-18(17)28-15-19(24)22-16-10-6-4-3-5-7-11-16/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3,(H,22,24)