methyl 2-cyano-2-(3-phenylsulfanylquinoxalin-2-yl)ethanoate

Systemtic Name: methyl 2-cyano-2-(3-phenylsulfanylquinoxalin-2-yl)ethanoate Openeye Name: methyl 2-cyano-2-(3-phenylsulfanylquinoxalin-2-yl)acetate CAS Name: 2-cyano-2-[3-(phenylthio)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-(3-phenylsulfanylquinoxalin-2-yl)acetate Traditional Name: 2-cyano-2-[3-(phenylthio)quinoxalin-2-yl]acetic acid methyl ester Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O2S/c1-23-18(22)13(11-19)16-17(24-12-7-3-2-4-8-12)21-15-10-6-5-9-14(15)20-16/h2-10,13H,1H3