methyl 3-methyl-4-[(4-methylsulfanylphenyl)methylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[(4-methylsulfanylphenyl)methylamino]benzoate Openeye Name: methyl 3-methyl-4-[(4-methylsulfanylphenyl)methylamino]benzoate CAS Name: 3-methyl-4-[[4-(methylthio)phenyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[(4-methylsulfanylphenyl)methylamino]benzoate Traditional Name: 3-methyl-4-[[4-(methylthio)benzyl]amino]benzoic acid methyl ester Formula: C17H19NO2S MolecularWeight: 301.40326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19NO2S/c1-12-10-14(17(19)20-2)6-9-16(12)18-11-13-4-7-15(21-3)8-5-13/h4-10,18H,11H2,1-3H3