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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(isobutylamino)-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-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)CSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H21NO5S/c1-11(2)8-17-15(18)9-22-16(19)10-23-12-3-4-13-14(7-12)21-6-5-20-13/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,17,18)