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

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(phenylcarbonylcarbamothioylamino)thiophen-2-yl]propanoate Openeye Name: tert-butyl 3-[5-(benzoylcarbamothioylamino)-2-thienyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[5-[[benzamido(sulfanylidene)methyl]amino]-2-thiophenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(benzoylcarbamothioylamino)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[5-(benzoylthiocarbamoylamino)-2-thienyl]-2-(tert-butoxycarbonylamino)propionic acid tert-butyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(S1)NC(=S)NC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(S1)NC(=S)NC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H31N3O5S2/c1-23(2,3)31-20(29)17(25-22(30)32-24(4,5)6)14-16-12-13-18(34-16)26-21(33)27-19(28)15-10-8-7-9-11-15/h7-13,17H,14H2,1-6H3,(H,25,30)(H2,26,27,28,33)