tert-butyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(2-methoxyphenyl)methylcarbamothioylamino]propanoate CAS Name: 2-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methoxyphenyl)methylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-(o-anisylthiocarbamoylamino)propionic acid tert-butyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCC1=CC=CC=C1OC

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCC1=CC=CC=C1OC

InChI

InChI=1S/C20H32N2O4S/c1-19(2,3)25-13-15(17(23)26-20(4,5)6)22-18(27)21-12-14-10-8-9-11-16(14)24-7/h8-11,15H,12-13H2,1-7H3,(H2,21,22,27)