(E)-4-[(2-methylsulfonylphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2-methylsulfonylphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-methylsulfonylanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2-methylsulfonylanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-methylsulfonylanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(2-mesylanilino)but-2-enoic acid Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)C=CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H11NO5S/c1-18(16,17)9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-6+