tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-3-phenylmethoxy-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-3-phenylmethoxy-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(benzyloxymethyl)-2-(6-nitrobenzotriazol-1-yl)-2-thioxo-ethyl]carbamate CAS Name: N-[(2S)-1-(6-nitro-1-benzotriazolyl)-3-phenylmethoxy-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-3-phenylmethoxy-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(benzoxymethyl)-2-(6-nitrobenzotriazol-1-yl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C21H23N5O5S/c1-21(2,3)31-20(27)22-17(13-30-12-14-7-5-4-6-8-14)19(32)25-18-11-15(26(28)29)9-10-16(18)23-24-25/h4-11,17H,12-13H2,1-3H3,(H,22,27)/t17-/m0/s1