1-[3-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]quinoxalin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[3-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-quinoxalinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]quinoxalin-2-yl]isonipecotic acid Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H26N4O4S/c1-4-31-23(30)18-13(2)14(3)32-21(18)26-19-20(25-17-8-6-5-7-16(17)24-19)27-11-9-15(10-12-27)22(28)29/h5-8,15H,4,9-12H2,1-3H3,(H,24,26)(H,28,29)