3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-4-(3-phenylmethoxyphenyl)sulfanyl-butanoic acid

Systemtic Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-4-(3-phenylmethoxyphenyl)sulfanyl-butanoic acid Openeye Name: 4-(3-benzyloxyphenyl)sulfanyl-3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-butanoic acid CAS Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-4-[(3-phenylmethoxyphenyl)thio]butanoic acid IUPAC Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-4-(3-phenylmethoxyphenyl)sulfanylbutanoic acid Traditional Name: 4-[(3-benzoxyphenyl)thio]-2-carbethoxy-3-(2-chlorophenyl)-2-methyl-butyric acid Formula: C27H27ClO5S MolecularWeight: 499.01828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(CSC1=CC=CC(=C1)OCC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CCOC(=O)C(C)(C(CSC1=CC=CC(=C1)OCC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C27H27ClO5S/c1-3-32-26(31)27(2,25(29)30)23(22-14-7-8-15-24(22)28)18-34-21-13-9-12-20(16-21)33-17-19-10-5-4-6-11-19/h4-16,23H,3,17-18H2,1-2H3,(H,29,30)