2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanal

Systemtic Name: 2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanal Openeye Name: 2-benzyl-3-[(3-oxo-1H-isobenzofuran-1-yl)sulfanyl]propanal CAS Name: 2-[[(3-oxo-1H-isobenzofuran-1-yl)thio]methyl]-3-phenylpropanal IUPAC Name: 2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanal Traditional Name: 2-benzyl-3-(phthalidylthio)propionaldehyde Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C=O

InChI

InChI=1S/C18H16O3S/c19-11-14(10-13-6-2-1-3-7-13)12-22-18-16-9-5-4-8-15(16)17(20)21-18/h1-9,11,14,18H,10,12H2