tert-butyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidene-butanoate

Systemtic Name: tert-butyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidene-butanoate Openeye Name: tert-butyl (3S)-3-(tert-butoxycarbonylamino)-4-(6-nitrobenzotriazol-1-yl)-4-thioxo-butanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(6-nitro-1-benzotriazolyl)-4-sulfanylidenebutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidenebutanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-(6-nitrobenzotriazol-1-yl)-4-thioxo-butyric acid tert-butyl ester Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N5O6S/c1-18(2,3)29-15(25)10-13(20-17(26)30-19(4,5)6)16(31)23-14-9-11(24(27)28)7-8-12(14)21-22-23/h7-9,13H,10H2,1-6H3,(H,20,26)/t13-/m0/s1