methyl 2-cyano-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]amino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]amino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(4-thiazol-2-ylanilino)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(2-thiazolyl)anilino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(1,3-thiazol-2-yl)anilino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(4-thiazol-2-ylanilino)quinoxalin-2-yl]acetic acid methyl ester Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)C4=NC=CS4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)C4=NC=CS4

InChI

InChI=1S/C21H15N5O2S/c1-28-21(27)15(12-22)18-19(26-17-5-3-2-4-16(17)25-18)24-14-8-6-13(7-9-14)20-23-10-11-29-20/h2-11,15H,1H3,(H,24,26)