methyl (2E)-3-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]methylidene]butanoate

Systemtic Name: methyl (2E)-3-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]methylidene]butanoate Openeye Name: methyl (2E)-2-[(2-benzylsulfanylphenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-3-oxo-2-[[2-(phenylmethylthio)phenyl]methylidene]butanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(2-benzylsulfanylphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-[2-(benzylthio)phenyl]acrylic acid methyl ester Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1SCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1SCC2=CC=CC=C2)/C(=O)OC

InChI

InChI=1S/C19H18O3S/c1-14(20)17(19(21)22-2)12-16-10-6-7-11-18(16)23-13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3/b17-12+