(Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-thiophen-2-yl-but-3-enoic acid

Systemtic Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-thiophen-2-yl-but-3-enoic acid Openeye Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-(2-thienyl)but-3-enoic acid CAS Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-thiophen-2-yl-3-butenoic acid IUPAC Name: (Z)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-4-thiophen-2-ylbut-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(4-mesylphenyl)-4-(2-thienyl)but-3-enoic acid Formula: C18H18O6S2 MolecularWeight: 394.46192

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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=CS2)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C(/C1=CC=C(C=C1)S(=O)(=O)C)\C2=CC=CS2)/CC(=O)O

InChI

InChI=1S/C18H18O6S2/c1-3-24-18(21)14(11-16(19)20)17(15-5-4-10-25-15)12-6-8-13(9-7-12)26(2,22)23/h4-10H,3,11H2,1-2H3,(H,19,20)/b17-14-