propyl (2Z)-3-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]methylidene]butanoate

Systemtic Name: propyl (2Z)-3-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]methylidene]butanoate Openeye Name: propyl (2Z)-2-[(2-benzylsulfanylphenyl)methylene]-3-oxo-butanoate CAS Name: (2Z)-3-oxo-2-[[2-(phenylmethylthio)phenyl]methylidene]butanoic acid propyl ester IUPAC Name: propyl (2Z)-2-[(2-benzylsulfanylphenyl)methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-[2-(benzylthio)phenyl]acrylic acid propyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3S/c1-3-13-24-21(23)19(16(2)22)14-18-11-7-8-12-20(18)25-15-17-9-5-4-6-10-17/h4-12,14H,3,13,15H2,1-2H3/b19-14-