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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-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 [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-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 [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H22N2O6S/c1-10(2)18-17(22)19-16(21)11(3)25-15(20)9-26-12-4-5-13-14(8-12)24-7-6-23-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H2,18,19,21,22)/t11-/m0/s1