methyl 2-azanyl-4-(4-chlorophenyl)-3-cyano-6-methylsulfanyl-benzoate

Systemtic Name: methyl 2-azanyl-4-(4-chlorophenyl)-3-cyano-6-methylsulfanyl-benzoate Openeye Name: methyl 2-amino-4-(4-chlorophenyl)-3-cyano-6-methylsulfanyl-benzoate CAS Name: 2-amino-4-(4-chlorophenyl)-3-cyano-6-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 2-amino-4-(4-chlorophenyl)-3-cyano-6-methylsulfanylbenzoate Traditional Name: 2-amino-4-(4-chlorophenyl)-3-cyano-6-(methylthio)benzoic acid methyl ester Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1N)C#N)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1N)C#N)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C16H13ClN2O2S/c1-21-16(20)14-13(22-2)7-11(12(8-18)15(14)19)9-3-5-10(17)6-4-9/h3-7H,19H2,1-2H3