[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C20H26N2O5S/c1-13(23)12-28-17-11-7-6-10-16(17)19(25)27-14(2)18(24)22-20(26)21-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H2,21,22,24,26)/t14-/m1/s1