[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H26N2O6S/c1-13(19(24)22-20(25)21-14-5-3-2-4-6-14)28-18(23)12-29-15-7-8-16-17(11-15)27-10-9-26-16/h7-8,11,13-14H,2-6,9-10,12H2,1H3,(H2,21,22,24,25)/t13-/m1/s1