tert-butyl 3-[5-(carbamothioylamino)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: tert-butyl 3-[5-(carbamothioylamino)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-3-[5-(carbamothioylamino)-2-thienyl]propanoate CAS Name: 3-[5-(carbamothioylamino)-2-thiophenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(carbamothioylamino)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(5-thioureido-2-thienyl)propionic acid tert-butyl ester Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(S1)NC(=S)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(S1)NC(=S)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H27N3O4S2/c1-16(2,3)23-13(21)11(19-15(22)24-17(4,5)6)9-10-7-8-12(26-10)20-14(18)25/h7-8,11H,9H2,1-6H3,(H,19,22)(H3,18,20,25)