(E)-4-oxidanylidene-4-[2-(phenylsulfonyl)ethoxy]but-2-enoic acid; urea

Systemtic Name: (E)-4-oxidanylidene-4-[2-(phenylsulfonyl)ethoxy]but-2-enoic acid; urea Openeye Name: (E)-4-[2-(benzenesulfonyl)ethoxy]-4-oxo-but-2-enoic acid; urea CAS Name: (E)-4-[2-(benzenesulfonyl)ethoxy]-4-oxo-2-butenoic acid; urea IUPAC Name: (E)-4-[2-(benzenesulfonyl)ethoxy]-4-oxobut-2-enoic acid; urea Traditional Name: (E)-4-(2-besylethoxy)-4-keto-but-2-enoic acid; urea Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C=CC(=O)O.C(=O)(N)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCOC(=O)/C=C/C(=O)O.C(=O)(N)N

InChI

InChI=1S/C12H12O6S.CH4N2O/c13-11(14)6-7-12(15)18-8-9-19(16,17)10-4-2-1-3-5-10;2-1(3)4/h1-7H,8-9H2,(H,13,14);(H4,2,3,4)/b7-6+;