4-[[(2-azanyl-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl)amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(2-azanyl-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl)amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[2-amino-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(2-amino-3-thiophen-2-ylsulfonyl-1-pyrrolo[3,2-b]quinoxalinyl)amino]methylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[2-amino-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C23H19N5O4S2 MolecularWeight: 493.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N)C=CC1=O

InChI

InChI=1S/C23H19N5O4S2/c1-2-32-18-12-14(9-10-17(18)29)13-25-28-22(24)21(34(30,31)19-8-5-11-33-19)20-23(28)27-16-7-4-3-6-15(16)26-20/h3-13,25H,2,24H2,1H3