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

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C15H15ClN4O5S MolecularWeight: 398.8214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H15ClN4O5S/c1-2-25-15(22)9-7-5-3-4-6-8(7)26-14(9)17-13(21)11-10(16)12(19-18-11)20(23)24/h2-6H2,1H3,(H,17,21)(H,18,19)