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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S/c1-2-7-3-4-8-10(5-7)25-15(11(8)13(16)21)18-14(22)12-9(20(23)24)6-17-19-12/h6-7H,2-5H2,1H3,(H2,16,21)(H,17,19)(H,18,22)/t7-/m0/s1