(Z)-3-ethoxycarbonyl-4-(3-methylphenyl)-4-(4-methylsulfonylphenyl)but-3-enoic acid

Systemtic Name: (Z)-3-ethoxycarbonyl-4-(3-methylphenyl)-4-(4-methylsulfonylphenyl)but-3-enoic acid Openeye Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-(m-tolyl)but-3-enoic acid CAS Name: (Z)-3-ethoxycarbonyl-4-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-3-butenoic acid IUPAC Name: (Z)-3-ethoxycarbonyl-4-(3-methylphenyl)-4-(4-methylsulfonylphenyl)but-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(4-mesylphenyl)-4-(m-tolyl)but-3-enoic acid Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S/c1-4-27-21(24)18(13-19(22)23)20(16-7-5-6-14(2)12-16)15-8-10-17(11-9-15)28(3,25)26/h5-12H,4,13H2,1-3H3,(H,22,23)/b20-18-