(E)-5-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E)-5-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E)-5-(2-chloro-5-methylsulfonyl-anilino)-5-oxo-pent-2-enoic acid CAS Name: (E)-5-(2-chloro-5-methylsulfonylanilino)-5-oxo-2-pentenoic acid IUPAC Name: (E)-5-(2-chloro-5-methylsulfonylanilino)-5-oxopent-2-enoic acid Traditional Name: (E)-5-(2-chloro-5-mesyl-anilino)-5-keto-pent-2-enoic acid Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC=CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C/C=C/C(=O)O

InChI

InChI=1S/C12H12ClNO5S/c1-20(18,19)8-5-6-9(13)10(7-8)14-11(15)3-2-4-12(16)17/h2,4-7H,3H2,1H3,(H,14,15)(H,16,17)/b4-2+