butan-2-yl 2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: butan-2-yl 2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C17H19BrN4O5S MolecularWeight: 471.32556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H19BrN4O5S/c1-3-8(2)27-17(24)11-9-6-4-5-7-10(9)28-16(11)19-15(23)13-12(18)14(21-20-13)22(25)26/h8H,3-7H2,1-2H3,(H,19,23)(H,20,21)