[5-(3,4-dimethoxyphenyl)-4-nitro-1-benzothiophen-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [5-(3,4-dimethoxyphenyl)-4-nitro-1-benzothiophen-2-yl]-morpholin-4-yl-methanone Openeye Name: [5-(3,4-dimethoxyphenyl)-4-nitro-benzothiophen-2-yl]-morpholino-methanone CAS Name: [5-(3,4-dimethoxyphenyl)-4-nitro-1-benzothiophen-2-yl]-(4-morpholinyl)methanone IUPAC Name: [5-(3,4-dimethoxyphenyl)-4-nitro-1-benzothiophen-2-yl]-morpholin-4-ylmethanone Traditional Name: [5-(3,4-dimethoxyphenyl)-4-nitro-benzothiophen-2-yl]-morpholino-methanone Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=C(C=C2)SC(=C3)C(=O)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=C(C=C2)SC(=C3)C(=O)N4CCOCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O6S/c1-27-16-5-3-13(11-17(16)28-2)14-4-6-18-15(20(14)23(25)26)12-19(30-18)21(24)22-7-9-29-10-8-22/h3-6,11-12H,7-10H2,1-2H3