methyl (2S)-2-cyano-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-cyano-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[3-(2-thienylmethylamino)quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-(thiophen-2-ylmethylamino)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-(2-thenylamino)quinoxalin-2-yl]acetic acid methyl ester Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC3=CC=CS3

Isomeric SMILES

COC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1NCC3=CC=CS3

InChI

InChI=1S/C17H14N4O2S/c1-23-17(22)12(9-18)15-16(19-10-11-5-4-8-24-11)21-14-7-3-2-6-13(14)20-15/h2-8,12H,10H2,1H3,(H,19,21)/t12-/m1/s1