2-(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfanyl-5-(4-methoxyphenyl)pentanoic acid

Systemtic Name: 2-(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfanyl-5-(4-methoxyphenyl)pentanoic acid Openeye Name: 2-(2-bromo-4-ethoxycarbonyl-phenyl)sulfanyl-5-(4-methoxyphenyl)pentanoic acid CAS Name: 2-[(2-bromo-4-ethoxycarbonylphenyl)thio]-5-(4-methoxyphenyl)pentanoic acid IUPAC Name: 2-(2-bromo-4-ethoxycarbonylphenyl)sulfanyl-5-(4-methoxyphenyl)pentanoic acid Traditional Name: 2-[(2-bromo-4-carbethoxy-phenyl)thio]-5-(4-methoxyphenyl)valeric acid Formula: C21H23BrO5S MolecularWeight: 467.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SC(CCCC2=CC=C(C=C2)OC)C(=O)O)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SC(CCCC2=CC=C(C=C2)OC)C(=O)O)Br

InChI

InChI=1S/C21H23BrO5S/c1-3-27-21(25)15-9-12-18(17(22)13-15)28-19(20(23)24)6-4-5-14-7-10-16(26-2)11-8-14/h7-13,19H,3-6H2,1-2H3,(H,23,24)