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

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C14H11N3O4S2 MolecularWeight: 349.38484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S2/c1-16(2)14-15-9-4-3-8(7-11(9)23-14)21-13(18)10-5-6-12(22-10)17(19)20/h3-7H,1-2H3