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

Systemtic Name: 3-chloranyl-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-methoxy-5-(5-methylol-2-furyl)phenyl]benzothiophene-2-carboxamide Formula: C21H16ClNO4S MolecularWeight: 413.87404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H16ClNO4S/c1-26-17-8-6-12(16-9-7-13(11-24)27-16)10-15(17)23-21(25)20-19(22)14-4-2-3-5-18(14)28-20/h2-10,24H,11H2,1H3,(H,23,25)