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

Systemtic Name: diethyl 2-[2-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]-2-methyl-propanedioate Openeye Name: diethyl 2-[2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]ethyl]-2-methyl-propanedioate CAS Name: 2-[2-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]ethyl]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]-2-methylpropanedioate Traditional Name: 2-[2-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]ethyl]-2-methyl-malonic acid diethyl ester Formula: C29H31ClO5S MolecularWeight: 527.07144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)C(=O)OCC

InChI

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