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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-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-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H23NO5S/c1-3-12(4-2)18-16(19)10-23-17(20)11-24-13-5-6-14-15(9-13)22-8-7-21-14/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,18,19)