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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O8S/c23-18(13-30-19(24)8-11-31(26,27)15-4-2-1-3-5-15)22-20(25)21-14-6-7-16-17(12-14)29-10-9-28-16/h1-7,12H,8-11,13H2,(H2,21,22,23,25)