methyl 2-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[4-(1,3-benzothiazol-2-yl)piperidino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21N5O2S/c1-31-24(30)16(14-25)21-22(27-18-7-3-2-6-17(18)26-21)29-12-10-15(11-13-29)23-28-19-8-4-5-9-20(19)32-23/h2-9,15-16H,10-13H2,1H3