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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S2/c1-3-18(4-2)16-17-11-6-5-10(9-13(11)25-16)23-15(20)12-7-8-14(24-12)19(21)22/h5-9H,3-4H2,1-2H3