3-chloranyl-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-methoxy-5-(5-methylol-2-furyl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C21H15ClN2O6S MolecularWeight: 458.8716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H15ClN2O6S/c1-29-17-7-5-11(16-8-6-12(10-25)30-16)9-14(17)23-21(26)20-18(22)13-3-2-4-15(24(27)28)19(13)31-20/h2-9,25H,10H2,1H3,(H,23,26)