tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-[(2,4,5-trimethylphenyl)carbamothioylamino]propanoate

Systemtic Name: tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-[(2,4,5-trimethylphenyl)carbamothioylamino]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(2,4,5-trimethylphenyl)carbamothioylamino]propanoate CAS Name: 3-[(2-methylpropan-2-yl)oxy]-2-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-[(2,4,5-trimethylphenyl)carbamothioylamino]propanoate Traditional Name: 3-tert-butoxy-2-[(2,4,5-trimethylphenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H34N2O3S/c1-13-10-15(3)16(11-14(13)2)22-19(27)23-17(12-25-20(4,5)6)18(24)26-21(7,8)9/h10-11,17H,12H2,1-9H3,(H2,22,23,27)