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

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S2/c20-15(12-3-4-14(25-12)19(21)22)24-10-1-2-11-13(9-10)26-16(17-11)18-5-7-23-8-6-18/h1-4,9H,5-8H2