3-[(1S)-1-(4-ethoxy-3-methoxy-phenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[(1S)-1-(4-ethoxy-3-methoxy-phenyl)-3-oxidanylidene-3-phenyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[(1S)-1-(4-ethoxy-3-methoxy-phenyl)-3-oxo-3-phenyl-propyl]sulfanylpropanoic acid CAS Name: 3-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)-3-oxo-3-phenylpropyl]thio]propanoic acid IUPAC Name: 3-[(1S)-1-(4-ethoxy-3-methoxyphenyl)-3-oxo-3-phenylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[(1S)-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-3-phenyl-propyl]thio]propionic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)C2=CC=CC=C2)SCCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)SCCC(=O)O)OC

InChI

InChI=1S/C21H24O5S/c1-3-26-18-10-9-16(13-19(18)25-2)20(27-12-11-21(23)24)14-17(22)15-7-5-4-6-8-15/h4-10,13,20H,3,11-12,14H2,1-2H3,(H,23,24)/t20-/m0/s1