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

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(m-anisylamino)ethyl]thio]acetic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSCC(=O)O

InChI

InChI=1S/C12H15NO4S/c1-17-10-4-2-3-9(5-10)6-13-11(14)7-18-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)