3-butanethioylsulfanylpropyl 2-[3-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 3-butanethioylsulfanylpropyl 2-[3-(phenylcarbonyl)phenyl]propanoate Openeye Name: 3-butanethioylsulfanylpropyl 2-(3-benzoylphenyl)propanoate CAS Name: 2-(3-benzoylphenyl)propanoic acid 3-(1-sulfanylidenebutylthio)propyl ester IUPAC Name: 3-butanethioylsulfanylpropyl 2-(3-benzoylphenyl)propanoate Traditional Name: 2-(3-benzoylphenyl)propionic acid 3-(butanethioylthio)propyl ester Formula: C23H26O3S2 MolecularWeight: 414.58074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=S)SCCCOC(=O)C(C)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(=S)SCCCOC(=O)C(C)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H26O3S2/c1-3-9-21(27)28-15-8-14-26-23(25)17(2)19-12-7-13-20(16-19)22(24)18-10-5-4-6-11-18/h4-7,10-13,16-17H,3,8-9,14-15H2,1-2H3