methyl 2-cyano-2-[3-(1-cyclopropylimidazol-2-yl)sulfanylquinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(1-cyclopropylimidazol-2-yl)sulfanylquinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(1-cyclopropylimidazol-2-yl)sulfanylquinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(1-cyclopropyl-2-imidazolyl)thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(1-cyclopropylimidazol-2-yl)sulfanylquinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(1-cyclopropylimidazol-2-yl)thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC=CN3C4CC4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NC=CN3C4CC4

InChI

InChI=1S/C18H15N5O2S/c1-25-17(24)12(10-19)15-16(22-14-5-3-2-4-13(14)21-15)26-18-20-8-9-23(18)11-6-7-11/h2-5,8-9,11-12H,6-7H2,1H3