ethyl 4-[(4-methylsulfanylphenyl)methylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)SC

InChI

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