N-[(6S)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-17(2,3)8-4-5-9-11(6-8)27-16(12(9)14(18)23)20-15(24)13-10(22(25)26)7-19-21-13/h7-8H,4-6H2,1-3H3,(H2,18,23)(H,19,21)(H,20,24)/t8-/m0/s1