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

Systemtic Name: methyl 4-chloranyl-3-[(4-methylsulfanylphenyl)methylamino]benzoate Openeye Name: methyl 4-chloro-3-[(4-methylsulfanylphenyl)methylamino]benzoate CAS Name: 4-chloro-3-[[4-(methylthio)phenyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-methylsulfanylphenyl)methylamino]benzoate Traditional Name: 4-chloro-3-[[4-(methylthio)benzyl]amino]benzoic acid methyl ester Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NCC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H16ClNO2S/c1-20-16(19)12-5-8-14(17)15(9-12)18-10-11-3-6-13(21-2)7-4-11/h3-9,18H,10H2,1-2H3