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

Systemtic Name: tert-butyl 2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]propanoate CAS Name: 2-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methoxy-5-methylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S/c1-13-9-10-16(24-8)14(11-13)21-18(27)22-15(12-25-19(2,3)4)17(23)26-20(5,6)7/h9-11,15H,12H2,1-8H3,(H2,21,22,27)