[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C27H31NO4S MolecularWeight: 465.60434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C27H31NO4S/c29-24(22-14-12-21(13-15-22)20-8-2-1-3-9-20)18-32-27(31)23-10-4-5-11-25(23)33-19-26(30)28-16-6-7-17-28/h4-5,10-15,20H,1-3,6-9,16-19H2