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

Systemtic Name: butyl 4-[2-azanyl-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O3S/c1-2-3-14-35-27(34)17-10-12-18(13-11-17)32-24(28)22(26(33)29-16-19-7-6-15-36-19)23-25(32)31-21-9-5-4-8-20(21)30-23/h4-13,15H,2-3,14,16,28H2,1H3,(H,29,33)