methyl 2-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[(4-bromophenyl)thio]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromophenyl)sulfanylquinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[(4-bromophenyl)thio]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C18H12BrN3O2S MolecularWeight: 414.27578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H12BrN3O2S/c1-24-18(23)13(10-20)16-17(25-12-8-6-11(19)7-9-12)22-15-5-3-2-4-14(15)21-16/h2-9,13H,1H3