N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(5-nitrofuran-2-yl)methanimine

Systemtic Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(5-nitrofuran-2-yl)methanimine Openeye Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(5-nitro-2-furyl)methanimine CAS Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(5-nitro-2-furanyl)methanimine IUPAC Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(5-nitrofuran-2-yl)methanimine Traditional Name: (E)-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-[(5-nitro-2-furyl)methylene]amine Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)N=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)/N=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S/c1-23-11-3-5-13-10(8-11)2-6-14-16(13)19-17(25-14)18-9-12-4-7-15(24-12)20(21)22/h3-5,7-9H,2,6H2,1H3/b18-9+