3-(1,3-benzothiazol-2-yl)-6-ethoxy-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-imine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethoxy-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-imine Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethoxy-1-hydroxy-4-oxido-quinoxalin-4-ium-2-imine CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethoxy-1-hydroxy-4-oxido-2-quinoxalin-4-iumimine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethoxy-1-hydroxy-4-oxidoquinoxalin-4-ium-2-imine Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethoxy-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene]amine Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=N)C(=[N+]2[O-])C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=N)C(=[N+]2[O-])C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C17H14N4O3S/c1-2-24-10-7-8-12-13(9-10)20(22)15(16(18)21(12)23)17-19-11-5-3-4-6-14(11)25-17/h3-9,18,23H,2H2,1H3