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

Systemtic Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-4-(3-phenylmethoxyphenyl)sulfanyl-butanoic acid Openeye Name: 4-(3-benzyloxyphenyl)sulfanyl-3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-butanoic acid CAS Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-4-[(3-phenylmethoxyphenyl)thio]butanoic acid IUPAC Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-4-(3-phenylmethoxyphenyl)sulfanylbutanoic acid Traditional Name: 4-[(3-benzoxyphenyl)thio]-2-carbethoxy-3-(2-chlorophenyl)-2-ethyl-butyric acid Formula: C28H29ClO5S MolecularWeight: 513.04486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClO5S/c1-3-28(26(30)31,27(32)33-4-2)24(23-15-8-9-16-25(23)29)19-35-22-14-10-13-21(17-22)34-18-20-11-6-5-7-12-20/h5-17,24H,3-4,18-19H2,1-2H3,(H,30,31)