S-methyl 2-(2-phenyl-5-propanoyl-phenyl)ethanethioate

Systemtic Name: S-methyl 2-(2-phenyl-5-propanoyl-phenyl)ethanethioate Openeye Name: S-methyl 2-(2-phenyl-5-propanoyl-phenyl)ethanethioate CAS Name: 2-[5-(1-oxopropyl)-2-phenylphenyl]ethanethioic acid S-methyl ester IUPAC Name: S-methyl 2-(2-phenyl-5-propanoylphenyl)ethanethioate Traditional Name: 2-(2-phenyl-5-propionyl-phenyl)ethanethioic acid S-methyl ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)CC(=O)SC

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)CC(=O)SC

InChI

InChI=1S/C18H18O2S/c1-3-17(19)14-9-10-16(13-7-5-4-6-8-13)15(11-14)12-18(20)21-2/h4-11H,3,12H2,1-2H3