methyl 2-(3-oxidanylidene-1,3-diphenyl-propyl)sulfanylethanoate

Systemtic Name: methyl 2-(3-oxidanylidene-1,3-diphenyl-propyl)sulfanylethanoate Openeye Name: methyl 2-(3-oxo-1,3-diphenyl-propyl)sulfanylacetate CAS Name: 2-[(3-oxo-1,3-diphenylpropyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-oxo-1,3-diphenylpropyl)sulfanylacetate Traditional Name: 2-[(3-keto-1,3-diphenyl-propyl)thio]acetic acid methyl ester Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-21-18(20)13-22-17(15-10-6-3-7-11-15)12-16(19)14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3