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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C#CCNC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H15NO5S/c1-2-5-16-14(17)9-21-15(18)10-22-11-3-4-12-13(8-11)20-7-6-19-12/h1,3-4,8H,5-7,9-10H2,(H,16,17)