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

Systemtic Name: 3-chloranyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furyl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furanyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(5-methylol-2-furyl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H13ClN2O5S MolecularWeight: 428.84562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC=C(C=C3)C4=CC=C(O4)CO

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC=C(C=C3)C4=CC=C(O4)CO

InChI

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