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

Systemtic Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-4-(3-phenylmethoxyphenyl)sulfanyl-pentanoic acid Openeye Name: 4-(3-benzyloxyphenyl)sulfanyl-3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-pentanoic acid CAS Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-4-[(3-phenylmethoxyphenyl)thio]pentanoic acid IUPAC Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-methyl-4-(3-phenylmethoxyphenyl)sulfanylpentanoic acid Traditional Name: 4-[(3-benzoxyphenyl)thio]-2-carbethoxy-3-(2-chlorophenyl)-2-methyl-valeric acid Formula: C28H29ClO5S MolecularWeight: 513.04486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(C1=CC=CC=C1Cl)C(C)SC2=CC=CC(=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C(C)(C(C1=CC=CC=C1Cl)C(C)SC2=CC=CC(=C2)OCC3=CC=CC=C3)C(=O)O

InChI

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