[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [2-(2,5-dimethoxyphenyl)pyrrolidino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S/c1-27-15-6-7-18(28-2)16(12-15)17-4-3-9-22(17)21(24)20-11-13-10-14(23(25)26)5-8-19(13)29-20/h5-8,10-12,17H,3-4,9H2,1-2H3