3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]propionate Formula: C11H10ClO3S- MolecularWeight: 257.7133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSCCC(=O)[O-])Cl

InChI

InChI=1S/C11H11ClO3S/c12-9-3-1-8(2-4-9)10(13)7-16-6-5-11(14)15/h1-4H,5-7H2,(H,14,15)/p-1