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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33ClO5S/c1-4-30(28(32)34-5-2,29(33)35-6-3)18-17-23-15-16-26(20-27(23)31)37-25-14-10-13-24(19-25)36-21-22-11-8-7-9-12-22/h7-16,19-20H,4-6,17-18,21H2,1-3H3