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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

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