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

Systemtic Name: 3-chloranyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-[5-(hydroxymethyl)-2-furyl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-[5-(hydroxymethyl)-2-furanyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-(5-methylol-2-furyl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H13ClN2O5S MolecularWeight: 428.84562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O5S/c21-17-14-5-2-6-15(23(26)27)18(14)29-19(17)20(25)22-12-4-1-3-11(9-12)16-8-7-13(10-24)28-16/h1-9,24H,10H2,(H,22,25)