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

Systemtic Name: diethyl 2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]-2-ethyl-propanedioate Openeye Name: diethyl 2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]-2-ethyl-propanedioate CAS Name: 2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-2-ethylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]-2-ethylpropanedioate Traditional Name: 2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]-2-ethyl-malonic acid diethyl ester Formula: C31H35ClO5S MolecularWeight: 555.1246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35ClO5S/c1-4-31(29(33)35-5-2,30(34)36-6-3)19-11-14-24-17-18-27(21-28(24)32)38-26-16-10-15-25(20-26)37-22-23-12-8-7-9-13-23/h7-10,12-13,15-18,20-21H,4-6,11,14,19,22H2,1-3H3