N-(5-nitro-2-oxidanyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H14N2O4S/c18-13-6-5-9(17(20)21)7-12(13)16-15(19)11-8-22-14-4-2-1-3-10(11)14/h5-8,18H,1-4H2,(H,16,19)