2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSCC(=O)O

InChI

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