[(E)-[azanyl-(3-methylphenyl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [(E)-[azanyl-(3-methylphenyl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate Openeye Name: [(E)-[amino(m-tolyl)methylene]amino] 3-benzylsulfanylpropanoate CAS Name: 3-(phenylmethylthio)propanoic acid [(E)-[amino-(3-methylphenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(3-methylphenyl)methylidene]amino] 3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)propionic acid [(E)-[amino(m-tolyl)methylene]amino] ester Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=NOC(=O)CCSCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=CC(=C1)/C(=N\OC(=O)CCSCC2=CC=CC=C2)/N

InChI

InChI=1S/C18H20N2O2S/c1-14-6-5-9-16(12-14)18(19)20-22-17(21)10-11-23-13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,19,20)