(Z)-4-(3-chloranyl-4-methoxy-phenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid

Systemtic Name: (Z)-4-(3-chloranyl-4-methoxy-phenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Openeye Name: (Z)-4-(3-chloro-4-methoxy-phenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid CAS Name: (Z)-4-(3-chloro-4-methoxyphenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-3-butenoic acid IUPAC Name: (Z)-4-(3-chloro-4-methoxyphenyl)-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(3-chloro-4-methoxy-phenyl)-4-(4-mesylphenyl)but-3-enoic acid Formula: C21H21ClO7S MolecularWeight: 452.90524

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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(=C(C=C2)OC)Cl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO7S/c1-4-29-21(25)16(12-19(23)24)20(14-7-10-18(28-2)17(22)11-14)13-5-8-15(9-6-13)30(3,26)27/h5-11H,4,12H2,1-3H3,(H,23,24)/b20-16-