tert-butyl 2-[(3-chlorophenyl)carbonylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(3-chlorophenyl)carbonylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(3-chlorobenzoyl)carbamothioylamino]propanoate CAS Name: 2-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-chlorobenzoyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(3-chlorobenzoyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C19H27ClN2O4S MolecularWeight: 414.94668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C19H27ClN2O4S/c1-18(2,3)25-11-14(16(24)26-19(4,5)6)21-17(27)22-15(23)12-8-7-9-13(20)10-12/h7-10,14H,11H2,1-6H3,(H2,21,22,23,27)