methyl 4-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]benzoate

Systemtic Name: methyl 4-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]benzoate Openeye Name: methyl 4-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitro-buta-1,3-dienyl]benzoate CAS Name: 4-[(1E,3E)-3-(benzenesulfonyl)-4-(methylthio)-2-nitrobuta-1,3-dienyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitrobuta-1,3-dienyl]benzoate Traditional Name: 4-[(1E,3E)-3-besyl-4-(methylthio)-2-nitro-buta-1,3-dienyl]benzoic acid methyl ester Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C(=CSC)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C(=C/SC)\S(=O)(=O)C2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C19H17NO6S2/c1-26-19(21)15-10-8-14(9-11-15)12-17(20(22)23)18(13-27-2)28(24,25)16-6-4-3-5-7-16/h3-13H,1-2H3/b17-12+,18-13+