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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [2-(tert-butylcarbamoylamino)-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-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-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-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-17(2,3)19-16(22)18-14(20)9-25-15(21)10-26-11-4-5-12-13(8-11)24-7-6-23-12/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,19,20,22)