ethyl 2-[(4-methylphenyl)methylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)methylamino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-(p-tolylmethylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[(4-methylphenyl)methylamino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)methylamino]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-[(4-methylbenzyl)amino]propionic acid ethyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCC1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(CS)NCC1=CC=C(C=C1)C

InChI

InChI=1S/C13H19NO2S/c1-3-16-13(15)12(9-17)14-8-11-6-4-10(2)5-7-11/h4-7,12,14,17H,3,8-9H2,1-2H3