(4-methylphenyl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrososulfanyl-butanoate

Systemtic Name: (4-methylphenyl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrososulfanyl-butanoate Openeye Name: p-tolyl 2-(tert-butoxycarbonylamino)-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(nitrosothio)butanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrososulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-(nitrosothio)butyric acid p-tolyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C(C(C)(C)SN=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C(C(C)(C)SN=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H24N2O5S/c1-11-7-9-12(10-8-11)23-14(20)13(17(5,6)25-19-22)18-15(21)24-16(2,3)4/h7-10,13H,1-6H3,(H,18,21)