[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24N2O8S MolecularWeight: 428.45676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H24N2O8S/c1-12(2)10-19-18(23)20-16(21)11-28-17(22)5-8-29(24,25)13-3-4-14-15(9-13)27-7-6-26-14/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,19,20,21,23)