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

Systemtic Name: 3-chloranyl-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-methyl-4-(5-methylol-2-furyl)phenyl]benzothiophene-2-carboxamide Formula: C21H16ClNO3S MolecularWeight: 397.87464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=C(O4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=C(O4)CO

InChI

InChI=1S/C21H16ClNO3S/c1-12-10-13(6-8-15(12)17-9-7-14(11-24)26-17)23-21(25)20-19(22)16-4-2-3-5-18(16)27-20/h2-10,24H,11H2,1H3,(H,23,25)