ethyl 2-[2-(1-oxidanyl-3-phenyl-propyl)-5-(3-sulfanylidenepropanethioyl)phenyl]ethanoate

Systemtic Name: ethyl 2-[2-(1-oxidanyl-3-phenyl-propyl)-5-(3-sulfanylidenepropanethioyl)phenyl]ethanoate Openeye Name: ethyl 2-[2-(1-hydroxy-3-phenyl-propyl)-5-(3-thioxopropanethioyl)phenyl]acetate CAS Name: 2-[5-[1,3-bis(sulfanylidene)propyl]-2-(1-hydroxy-3-phenylpropyl)phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-hydroxy-3-phenylpropyl)-5-(3-sulfanylidenepropanethioyl)phenyl]acetate Traditional Name: 2-[2-(1-hydroxy-3-phenyl-propyl)-5-(3-thioxopropanethioyl)phenyl]acetic acid ethyl ester Formula: C22H24O3S2 MolecularWeight: 400.55416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1)C(=S)CC=S)C(CCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1)C(=S)CC=S)C(CCC2=CC=CC=C2)O

InChI

InChI=1S/C22H24O3S2/c1-2-25-22(24)15-18-14-17(21(27)12-13-26)9-10-19(18)20(23)11-8-16-6-4-3-5-7-16/h3-7,9-10,13-14,20,23H,2,8,11-12,15H2,1H3