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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S2/c1-3-22(4-2)20-21-15-7-6-14(11-17(15)29-20)27-19(24)18-10-12-9-13(23(25)26)5-8-16(12)28-18/h5-11H,3-4H2,1-2H3