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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7S/c1-2-6-17-15(18)11-24-16(19)5-9-25(20,21)12-3-4-13-14(10-12)23-8-7-22-13/h1,3-4,10H,5-9,11H2,(H,17,18)