tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propanoate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)propionic acid tert-butyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C20H30N2O5S/c1-19(2,3)26-12-14(17(23)27-20(4,5)6)22-18(28)21-13-7-8-15-16(11-13)25-10-9-24-15/h7-8,11,14H,9-10,12H2,1-6H3,(H2,21,22,28)