(Z)-4-[2-(4-chlorophenyl)-4-methylsulfonyl-phenyl]-3-ethoxycarbonyl-but-3-enoic acid

Systemtic Name: (Z)-4-[2-(4-chlorophenyl)-4-methylsulfonyl-phenyl]-3-ethoxycarbonyl-but-3-enoic acid Openeye Name: (Z)-4-[2-(4-chlorophenyl)-4-methylsulfonyl-phenyl]-3-ethoxycarbonyl-but-3-enoic acid CAS Name: (Z)-4-[2-(4-chlorophenyl)-4-methylsulfonylphenyl]-3-ethoxycarbonyl-3-butenoic acid IUPAC Name: (Z)-4-[2-(4-chlorophenyl)-4-methylsulfonylphenyl]-3-ethoxycarbonylbut-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-[2-(4-chlorophenyl)-4-mesyl-phenyl]but-3-enoic acid Formula: C20H19ClO6S MolecularWeight: 422.87926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C=C(C=C1)S(=O)(=O)C)C2=CC=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C\C1=C(C=C(C=C1)S(=O)(=O)C)C2=CC=C(C=C2)Cl)/CC(=O)O

InChI

InChI=1S/C20H19ClO6S/c1-3-27-20(24)15(11-19(22)23)10-14-6-9-17(28(2,25)26)12-18(14)13-4-7-16(21)8-5-13/h4-10,12H,3,11H2,1-2H3,(H,22,23)/b15-10-