(2E)-3-oxidanylidene-2-[phenyl-(phenylmethylsulfanyl)methylidene]butanoic acid

Systemtic Name: (2E)-3-oxidanylidene-2-[phenyl-(phenylmethylsulfanyl)methylidene]butanoic acid Openeye Name: (2E)-2-[benzylsulfanyl(phenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-3-oxo-2-[phenyl-(phenylmethylthio)methylidene]butanoic acid IUPAC Name: (2E)-2-[benzylsulfanyl(phenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(benzylthio)-3-phenyl-acrylic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=CC=C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)/C(=C(/C1=CC=CC=C1)\SCC2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C18H16O3S/c1-13(19)16(18(20)21)17(15-10-6-3-7-11-15)22-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,20,21)/b17-16+