methyl 2-cyano-2-(3-cyano-6-methoxy-2-methylsulfanyl-quinolin-4-yl)ethanoate

Systemtic Name: methyl 2-cyano-2-(3-cyano-6-methoxy-2-methylsulfanyl-quinolin-4-yl)ethanoate Openeye Name: methyl 2-cyano-2-(3-cyano-6-methoxy-2-methylsulfanyl-4-quinolyl)acetate CAS Name: 2-cyano-2-[3-cyano-6-methoxy-2-(methylthio)-4-quinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-(3-cyano-6-methoxy-2-methylsulfanylquinolin-4-yl)acetate Traditional Name: 2-cyano-2-[3-cyano-6-methoxy-2-(methylthio)-4-quinolyl]acetic acid methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2C(C#N)C(=O)OC)C#N)SC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2C(C#N)C(=O)OC)C#N)SC

InChI

InChI=1S/C16H13N3O3S/c1-21-9-4-5-13-10(6-9)14(12(8-18)16(20)22-2)11(7-17)15(19-13)23-3/h4-6,12H,1-3H3