tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(pyridin-3-ylmethylcarbamothioylamino)propanoate

Systemtic Name: tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(pyridin-3-ylmethylcarbamothioylamino)propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-(3-pyridylmethylcarbamothioylamino)propanoate CAS Name: 3-[(2-methylpropan-2-yl)oxy]-2-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(pyridin-3-ylmethylcarbamothioylamino)propanoate Traditional Name: 3-tert-butoxy-2-(3-pyridylmethylthiocarbamoylamino)propionic acid tert-butyl ester Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCC1=CN=CC=C1

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCC1=CN=CC=C1

InChI

InChI=1S/C18H29N3O3S/c1-17(2,3)23-12-14(15(22)24-18(4,5)6)21-16(25)20-11-13-8-7-9-19-10-13/h7-10,14H,11-12H2,1-6H3,(H2,20,21,25)