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

Systemtic Name: ethyl 1-[3-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: 1-[3-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(S4)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=C(S4)C)C)C(=O)OCC

InChI

InChI=1S/C25H30N4O4S/c1-5-32-24(30)17-10-9-13-29(14-17)22-21(26-18-11-7-8-12-19(18)27-22)28-23-20(25(31)33-6-2)15(3)16(4)34-23/h7-8,11-12,17H,5-6,9-10,13-14H2,1-4H3,(H,26,28)