methyl 2-cyano-2-[3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]amino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]amino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]amino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]amino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(CNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC)C4=CC=CS4

InChI

InChI=1S/C24H27N5O2S/c1-16-9-11-29(12-10-16)20(21-8-5-13-32-21)15-26-23-22(17(14-25)24(30)31-2)27-18-6-3-4-7-19(18)28-23/h3-8,13,16-17,20H,9-12,15H2,1-2H3,(H,26,28)