[2-(dimethylamino)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S2/c1-20(2)18-19-13-5-4-12(9-15(13)27-18)25-17(22)16-8-10-7-11(21(23)24)3-6-14(10)26-16/h3-9H,1-2H3