methyl 2-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-(1,3-benzothiazol-2-ylthio)-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(1,3-benzothiazol-2-ylthio)quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C19H12N4O2S2 MolecularWeight: 392.45418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H12N4O2S2/c1-25-18(24)11(10-20)16-17(22-13-7-3-2-6-12(13)21-16)27-19-23-14-8-4-5-9-15(14)26-19/h2-9,11H,1H3