N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C18H13N3O5S2/c1-25-12-7-11-15(8-13(12)26-2)28-18(19-11)20-17(22)16-6-9-5-10(21(23)24)3-4-14(9)27-16/h3-8H,1-2H3,(H,19,20,22)