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

Systemtic Name: 5-ethyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-ethyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-ethyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-ethyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-ethyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H22N2O4S/c1-2-12-3-8-17-14(9-12)10-18(26-17)19(23)20-11-16(22)13-4-6-15(7-5-13)21(24)25/h4-7,10,12,16,22H,2-3,8-9,11H2,1H3,(H,20,23)