N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c20-15(11-5-7-12(8-6-11)19(22)23)9-18-17(21)14-10-24-16-4-2-1-3-13(14)16/h5-8,10,15,20H,1-4,9H2,(H,18,21)