methyl 4-[(E)-(2-azanyl-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-(2-azanyl-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[2-amino-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate CAS Name: 4-[(E)-(2-amino-3-thiophen-2-ylsulfonyl-1-pyrrolo[3,2-b]quinoxalinyl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-[2-amino-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoic acid methyl ester Formula: C23H17N5O4S2 MolecularWeight: 491.54218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N

InChI

InChI=1S/C23H17N5O4S2/c1-32-23(29)15-10-8-14(9-11-15)13-25-28-21(24)20(34(30,31)18-7-4-12-33-18)19-22(28)27-17-6-3-2-5-16(17)26-19/h2-13H,24H2,1H3/b25-13+