methyl 2-cyano-2-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[2-[(2-cyanobenzyl)thio]ethylamino]quinoxalin-2-yl]acetic acid methyl ester Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H19N5O2S/c1-29-22(28)17(13-24)20-21(27-19-9-5-4-8-18(19)26-20)25-10-11-30-14-16-7-3-2-6-15(16)12-23/h2-9,17H,10-11,14H2,1H3,(H,25,27)