methyl 2-azanyl-3-cyano-6-methylsulfanyl-4-pyridin-3-yl-benzoate

Systemtic Name: methyl 2-azanyl-3-cyano-6-methylsulfanyl-4-pyridin-3-yl-benzoate Openeye Name: methyl 2-amino-3-cyano-6-methylsulfanyl-4-(3-pyridyl)benzoate CAS Name: 2-amino-3-cyano-6-(methylthio)-4-(3-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 2-amino-3-cyano-6-methylsulfanyl-4-pyridin-3-ylbenzoate Traditional Name: 2-amino-3-cyano-6-(methylthio)-4-(3-pyridyl)benzoic acid methyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-20-15(19)13-12(21-2)6-10(11(7-16)14(13)17)9-4-3-5-18-8-9/h3-6,8H,17H2,1-2H3