tert-butyl 2-[(3-cyanophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(3-cyanophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(3-cyanophenyl)carbamothioylamino]propanoate CAS Name: 2-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-cyanophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(3-cyanophenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3S/c1-18(2,3)24-12-15(16(23)25-19(4,5)6)22-17(26)21-14-9-7-8-13(10-14)11-20/h7-10,15H,12H2,1-6H3,(H2,21,22,26)