tert-butyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(3,4-dimethylphenyl)carbamothioylamino]propanoate CAS Name: 2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(3,4-dimethylphenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H32N2O3S/c1-13-9-10-15(11-14(13)2)21-18(26)22-16(12-24-19(3,4)5)17(23)25-20(6,7)8/h9-11,16H,12H2,1-8H3,(H2,21,22,26)