ethyl 1-octan-3-yl-2-(thiophen-2-ylcarbonylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 1-octan-3-yl-2-(thiophen-2-ylcarbonylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 1-(1-ethylhexyl)-2-(thiophene-2-carbonylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-octan-3-yl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-octan-3-yl-2-(thiophene-2-carbonylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-(1-ethylhexyl)-2-(2-thenoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC=CS4

Isomeric SMILES

CCCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H30N4O3S/c1-4-7-8-12-17(5-2)30-23(29-25(31)20-15-11-16-34-20)21(26(32)33-6-3)22-24(30)28-19-14-10-9-13-18(19)27-22/h9-11,13-17H,4-8,12H2,1-3H3,(H,29,31)