ethyl 2-[4-(2-methylpropyl)phenyl]-2-phenylsulfanyl-propanoate

Systemtic Name: ethyl 2-[4-(2-methylpropyl)phenyl]-2-phenylsulfanyl-propanoate Openeye Name: ethyl 2-(4-isobutylphenyl)-2-phenylsulfanyl-propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]-2-(phenylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-methylpropyl)phenyl]-2-phenylsulfanylpropanoate Traditional Name: 2-(4-isobutylphenyl)-2-(phenylthio)propionic acid ethyl ester Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=CC=C(C=C1)CC(C)C)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(C1=CC=C(C=C1)CC(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C21H26O2S/c1-5-23-20(22)21(4,24-19-9-7-6-8-10-19)18-13-11-17(12-14-18)15-16(2)3/h6-14,16H,5,15H2,1-4H3