methyl 2-[[(2Z)-2-(tert-butylhydrazinylidene)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanoyl]amino]benzoate

Systemtic Name: methyl 2-[[(2Z)-2-(tert-butylhydrazinylidene)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanoyl]amino]benzoate Openeye Name: methyl 2-[[(2Z)-2-(tert-butylhydrazono)-3-cyano-3-[4-(4-nitrophenyl)thiazol-2-yl]propanoyl]amino]benzoate CAS Name: 2-[[(2Z)-2-(tert-butylhydrazinylidene)-3-cyano-3-[4-(4-nitrophenyl)-2-thiazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2Z)-2-(tert-butylhydrazinylidene)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanoyl]amino]benzoate Traditional Name: 2-[[(2Z)-2-(tert-butylhydrazono)-3-cyano-3-[4-(4-nitrophenyl)thiazol-2-yl]propanoyl]amino]benzoic acid methyl ester Formula: C25H24N6O5S MolecularWeight: 520.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NN=C(C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C)N/N=C(/C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])\C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H24N6O5S/c1-25(2,3)30-29-21(22(32)27-19-8-6-5-7-17(19)24(33)36-4)18(13-26)23-28-20(14-37-23)15-9-11-16(12-10-15)31(34)35/h5-12,14,18,30H,1-4H3,(H,27,32)/b29-21-