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

Systemtic Name: (6R)-2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[2-(4-bromo-5-methyl-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-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H18BrN5O4S MolecularWeight: 456.31422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN5O4S/c1-7-3-4-9-10(5-7)27-16(12(9)14(18)24)19-11(23)6-21-8(2)13(17)15(20-21)22(25)26/h7H,3-6H2,1-2H3,(H2,18,24)(H,19,23)/t7-/m1/s1