methyl 4-[(E)-3-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(3-methylsulfonylanilino)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(3-methylsulfonylanilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(3-methylsulfonylanilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-(3-mesylanilino)ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H19NO7S/c1-27-20(24)15-9-6-14(7-10-15)8-11-19(23)28-13-18(22)21-16-4-3-5-17(12-16)29(2,25)26/h3-12H,13H2,1-2H3,(H,21,22)/b11-8+