2-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-benzyl-2-methoxy-2-oxo-ethyl)sulfanylacetic acid CAS Name: 2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)thio]acetic acid IUPAC Name: 2-(1-methoxy-1-oxo-3-phenylpropan-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-benzyl-2-keto-2-methoxy-ethyl)thio]acetic acid Formula: C12H14O4S MolecularWeight: 254.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)SCC(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)SCC(=O)O

InChI

InChI=1S/C12H14O4S/c1-16-12(15)10(17-8-11(13)14)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)