(5S)-5-tert-butyl-N'-(2-nitrophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-5-tert-butyl-N'-(2-nitrophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-tert-butyl-N'-(2-nitrobenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-tert-butyl-N'-[(2-nitrophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-tert-butyl-N'-(2-nitrobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-5-tert-butyl-N'-(2-nitrobenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-20(2,3)13-8-9-16-12(10-13)11-17(28-16)19(25)22-21-18(24)14-6-4-5-7-15(14)23(26)27/h4-7,11,13H,8-10H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1