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

Systemtic Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-4-(3-phenylmethoxyphenyl)sulfanyl-pentanoic acid Openeye Name: 4-(3-benzyloxyphenyl)sulfanyl-3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-pentanoic acid CAS Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-4-[(3-phenylmethoxyphenyl)thio]pentanoic acid IUPAC Name: 3-(2-chlorophenyl)-2-ethoxycarbonyl-2-ethyl-4-(3-phenylmethoxyphenyl)sulfanylpentanoic acid Traditional Name: 4-[(3-benzoxyphenyl)thio]-2-carbethoxy-3-(2-chlorophenyl)-2-ethyl-valeric acid Formula: C29H31ClO5S MolecularWeight: 527.07144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClO5S/c1-4-29(27(31)32,28(33)34-5-2)26(24-16-9-10-17-25(24)30)20(3)36-23-15-11-14-22(18-23)35-19-21-12-7-6-8-13-21/h6-18,20,26H,4-5,19H2,1-3H3,(H,31,32)