ethyl 4-[2-azanyl-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: ethyl 4-[2-azanyl-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 4-[2-amino-3-(2-thienylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[oxo-(thiophen-2-ylmethylamino)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(2-thenylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid ethyl ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N

InChI

InChI=1S/C25H21N5O3S/c1-2-33-25(32)15-9-11-16(12-10-15)30-22(26)20(24(31)27-14-17-6-5-13-34-17)21-23(30)29-19-8-4-3-7-18(19)28-21/h3-13H,2,14,26H2,1H3,(H,27,31)