(5S)-5-ethyl-N'-(4-fluoranyl-3-nitro-phenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-5-ethyl-N'-(4-fluoranyl-3-nitro-phenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-ethyl-N'-(4-fluoro-3-nitro-benzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-ethyl-N'-[(4-fluoro-3-nitrophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-ethyl-N'-(4-fluoro-3-nitrobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-5-ethyl-N'-(4-fluoro-3-nitro-benzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O4S/c1-2-10-3-6-15-12(7-10)9-16(27-15)18(24)21-20-17(23)11-4-5-13(19)14(8-11)22(25)26/h4-5,8-10H,2-3,6-7H2,1H3,(H,20,23)(H,21,24)/t10-/m0/s1