(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S2/c24-19(18-10-12-9-13(23(25)26)1-4-16(12)29-18)28-14-2-3-15-17(11-14)30-20(21-15)22-5-7-27-8-6-22/h1-4,9-11H,5-8H2