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

Systemtic Name: 3-chloranyl-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-methyl-4-(5-methylol-2-furyl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=CC=C(O4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C4=CC=C(O4)CO

InChI

InChI=1S/C21H15ClN2O5S/c1-11-9-12(5-7-14(11)17-8-6-13(10-25)29-17)23-21(26)20-18(22)15-3-2-4-16(24(27)28)19(15)30-20/h2-9,25H,10H2,1H3,(H,23,26)