(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H22N2O7S MolecularWeight: 482.50568

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=C(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N2O7S/c27-24(32-14-18-11-19(26(28)29)10-17-13-31-15-33-22(17)18)21-12-20(16-4-2-1-3-5-16)23(34-21)25-6-8-30-9-7-25/h1-5,10-12H,6-9,13-15H2