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

Systemtic Name: 3-chloranyl-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furyl]-3-methoxy-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methoxyphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-methoxy-4-(5-methylol-2-furyl)phenyl]benzothiophene-2-carboxamide Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=C(O4)CO

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=C(O4)CO

InChI

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