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

Systemtic Name: 3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(m-toluidino)ethyl]thio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-9-3-2-4-10(7-9)13-11(14)8-17-6-5-12(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,14)(H,15,16)