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

Systemtic Name: methyl 2-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: methyl 3-tert-butoxy-2-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate CAS Name: 2-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methoxy-5-phenylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]propionic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC)NC(=S)NC1=C(C=CC(=C1)C2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC)NC(=S)NC1=C(C=CC(=C1)C2=CC=CC=C2)OC

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)28-14-18(20(25)27-5)24-21(29)23-17-13-16(11-12-19(17)26-4)15-9-7-6-8-10-15/h6-13,18H,14H2,1-5H3,(H2,23,24,29)