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

Systemtic Name: propan-2-yl 2-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-benzyl-5-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5S/c1-14(2)32-23(29)20-16-10-6-7-11-18(16)33-22(20)24-21(28)17-12-19(27(30)31)25-26(17)13-15-8-4-3-5-9-15/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,24,28)