(6R)-2-[2-(4-bromanyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6R)-2-[2-(4-bromanyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[[2-(4-bromo-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[2-(4-bromo-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-2-[[2-(4-bromo-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[[2-(4-bromo-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H16BrN5O4S MolecularWeight: 442.28764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H16BrN5O4S/c1-7-2-3-8-10(4-7)26-15(12(8)13(17)23)18-11(22)6-20-5-9(16)14(19-20)21(24)25/h5,7H,2-4,6H2,1H3,(H2,17,23)(H,18,22)/t7-/m1/s1