(phenylmethyl) 3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propanoate

Systemtic Name: (phenylmethyl) 3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propanoate Openeye Name: benzyl 3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propanoate CAS Name: 3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propanoate Traditional Name: 3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propionic acid benzyl ester Formula: C29H25ClO3S MolecularWeight: 489.025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H25ClO3S/c30-28-19-27(16-14-24(28)15-17-29(31)33-21-23-10-5-2-6-11-23)34-26-13-7-12-25(18-26)32-20-22-8-3-1-4-9-22/h1-14,16,18-19H,15,17,20-21H2