3-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(o-anisylamino)ethyl]thio]propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CSCCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H17NO4S/c1-18-11-5-3-2-4-10(11)8-14-12(15)9-19-7-6-13(16)17/h2-5H,6-9H2,1H3,(H,14,15)(H,16,17)