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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O8S MolecularWeight: 400.4036

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H20N2O8S/c1-2-17-16(21)18-14(19)10-26-15(20)5-8-27(22,23)11-3-4-12-13(9-11)25-7-6-24-12/h3-4,9H,2,5-8,10H2,1H3,(H2,17,18,19,21)