methyl 2-[(3-azanyl-2-methyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(3-azanyl-2-methyl-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(3-amino-2-methyl-phenyl)methylsulfanyl]acetate CAS Name: 2-[(3-amino-2-methylphenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-amino-2-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-amino-2-methyl-benzyl)thio]acetic acid methyl ester Formula: C11H15NO2S MolecularWeight: 225.3073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)CSCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1N)CSCC(=O)OC

InChI

InChI=1S/C11H15NO2S/c1-8-9(4-3-5-10(8)12)6-15-7-11(13)14-2/h3-5H,6-7,12H2,1-2H3