[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-[cyclohexyl(methyl)amino]-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-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H30N2O4S/c1-23(17-9-3-2-4-10-17)20(25)15-28-22(27)18-11-5-6-12-19(18)29-16-21(26)24-13-7-8-14-24/h5-6,11-12,17H,2-4,7-10,13-16H2,1H3