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

Systemtic Name: tert-butyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-tert-butoxy-propanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-(piperonylthiocarbamoylamino)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)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

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