N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-N-cyclopropyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-N-cyclopropyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-cyclopropyl-N-[4-(difluoromethoxy)-3-methoxy-benzyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H18F2N2O5S MolecularWeight: 448.439826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C21H18F2N2O5S/c1-29-17-8-12(2-6-16(17)30-21(22)23)11-24(14-3-4-14)20(26)19-10-13-9-15(25(27)28)5-7-18(13)31-19/h2,5-10,14,21H,3-4,11H2,1H3