3-chloranyl-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furyl]-3-methoxy-phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methoxyphenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-methoxy-4-(5-methylol-2-furyl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C21H15ClN2O6S MolecularWeight: 458.8716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=CC=C(O4)CO

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=CC=C(O4)CO

InChI

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