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

Systemtic Name: (2R)-2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: (2R)-2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: (2R)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: (2R)-2-[[2-keto-2-(m-anisidino)ethyl]thio]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=CC(=CC=C1)OC

Isomeric SMILES

C[C@H](C(=O)O)SCC(=O)NC1=CC(=CC=C1)OC

InChI

InChI=1S/C12H15NO4S/c1-8(12(15)16)18-7-11(14)13-9-4-3-5-10(6-9)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1