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

Systemtic Name: ethyl (2S)-2-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-quinoxalinyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-[4-(1,3-benzothiazol-2-yl)piperidino]quinoxalin-2-yl]-2-cyano-acetic acid ethyl ester Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N5O2S/c1-2-32-25(31)17(15-26)22-23(28-19-8-4-3-7-18(19)27-22)30-13-11-16(12-14-30)24-29-20-9-5-6-10-21(20)33-24/h3-10,16-17H,2,11-14H2,1H3/t17-/m1/s1