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

Systemtic Name: diethyl 2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]-2-methyl-propanedioate Openeye Name: diethyl 2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]-2-methyl-propanedioate CAS Name: 2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]-2-methylpropanedioate Traditional Name: 2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]-2-methyl-malonic acid diethyl ester Formula: C30H33ClO5S MolecularWeight: 541.09802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33ClO5S/c1-4-34-28(32)30(3,29(33)35-5-2)18-10-13-23-16-17-26(20-27(23)31)37-25-15-9-14-24(19-25)36-21-22-11-7-6-8-12-22/h6-9,11-12,14-17,19-20H,4-5,10,13,18,21H2,1-3H3