N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-2-furancarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-2-furamide Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C14H11N3O4S/c1-7-3-5-10-12(8(7)2)15-14(22-10)16-13(18)9-4-6-11(21-9)17(19)20/h3-6H,1-2H3,(H,15,16,18)