diethyl 2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]-2-propyl-propanedioate

Systemtic Name: diethyl 2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]-2-propyl-propanedioate Openeye Name: diethyl 2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]-2-propyl-propanedioate CAS Name: 2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-2-propylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]-2-propylpropanedioate Traditional Name: 2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]-2-propyl-malonic acid diethyl ester Formula: C32H37ClO5S MolecularWeight: 569.15118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C32H37ClO5S/c1-4-19-32(30(34)36-5-2,31(35)37-6-3)20-11-14-25-17-18-28(22-29(25)33)39-27-16-10-15-26(21-27)38-23-24-12-8-7-9-13-24/h7-10,12-13,15-18,21-22H,4-6,11,14,19-20,23H2,1-3H3