methyl 3-acetyloxy-4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidene-butanoate

Systemtic Name: methyl 3-acetyloxy-4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidene-butanoate Openeye Name: methyl 3-acetoxy-4-(6-nitrobenzotriazol-1-yl)-4-thioxo-butanoate CAS Name: 3-acetyloxy-4-(6-nitro-1-benzotriazolyl)-4-sulfanylidenebutanoic acid methyl ester IUPAC Name: methyl 3-acetyloxy-4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidenebutanoate Traditional Name: 3-acetoxy-4-(6-nitrobenzotriazol-1-yl)-4-thioxo-butyric acid methyl ester Formula: C13H12N4O6S MolecularWeight: 352.32258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6S/c1-7(18)23-11(6-12(19)22-2)13(24)16-10-5-8(17(20)21)3-4-9(10)14-15-16/h3-5,11H,6H2,1-2H3