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

Systemtic Name: 3-chloranyl-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-[5-(hydroxymethyl)-2-furyl]-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-methyl-5-(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=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

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