tert-butyl 2-[(4-chloranyl-2-methyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(4-chloranyl-2-methyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(4-chloro-2-methyl-phenyl)carbamothioylamino]propanoate CAS Name: 2-[[(4-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-chloro-2-methylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(4-chloro-2-methyl-phenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C19H29ClN2O3S MolecularWeight: 400.96316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O3S/c1-12-10-13(20)8-9-14(12)21-17(26)22-15(11-24-18(2,3)4)16(23)25-19(5,6)7/h8-10,15H,11H2,1-7H3,(H2,21,22,26)