tert-butyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]propanoate CAS Name: 2-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C19H29ClN2O4S MolecularWeight: 416.96256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=C(C=CC(=C1)Cl)OC

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=C(C=CC(=C1)Cl)OC

InChI

InChI=1S/C19H29ClN2O4S/c1-18(2,3)25-11-14(16(23)26-19(4,5)6)22-17(27)21-13-10-12(20)8-9-15(13)24-7/h8-10,14H,11H2,1-7H3,(H2,21,22,27)