tert-butyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-tert-butoxy-propanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-3-tert-butoxy-propionic acid tert-butyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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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)OCO2

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H28N2O5S/c1-18(2,3)25-10-13(16(22)26-19(4,5)6)21-17(27)20-12-7-8-14-15(9-12)24-11-23-14/h7-9,13H,10-11H2,1-6H3,(H2,20,21,27)