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

Systemtic Name: 4-methyl-3-[(4-methylsulfanylphenyl)methylamino]benzoate Openeye Name: 4-methyl-3-[(4-methylsulfanylphenyl)methylamino]benzoate CAS Name: 4-methyl-3-[[4-(methylthio)phenyl]methylamino]benzoate IUPAC Name: 4-methyl-3-[(4-methylsulfanylphenyl)methylamino]benzoate Traditional Name: 4-methyl-3-[[4-(methylthio)benzyl]amino]benzoate Formula: C16H16NO2S- MolecularWeight: 286.36874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H17NO2S/c1-11-3-6-13(16(18)19)9-15(11)17-10-12-4-7-14(20-2)8-5-12/h3-9,17H,10H2,1-2H3,(H,18,19)/p-1