N-(2-ethyl-6-methyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N2O3S/c1-3-12-6-4-5-11(2)17(12)19-18(21)16-10-13-9-14(20(22)23)7-8-15(13)24-16/h4-10H,3H2,1-2H3,(H,19,21)