N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Formula: C16H11N3O3S2 MolecularWeight: 357.40684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O3S2/c20-15(12-7-8-13(23-12)19(21)22)18-16-17-14-10-4-2-1-3-9(10)5-6-11(14)24-16/h1-4,7-8H,5-6H2,(H,17,18,20)