ethyl 4,5-dimethyl-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[3-(1-piperidyl)quinoxalin-2-yl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(1-piperidinyl)-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(3-piperidinoquinoxalin-2-yl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-4-28-22(27)18-14(2)15(3)29-21(18)25-19-20(26-12-8-5-9-13-26)24-17-11-7-6-10-16(17)23-19/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,23,25)