methyl 3-chloranyl-6-[(4-nitro-1H-pyrazol-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-nitro-1H-pyrazol-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-nitro-1H-pyrazole-5-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-nitro-1H-pyrazole-5-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C14H9ClN4O5S MolecularWeight: 380.76306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN4O5S/c1-24-14(21)12-10(15)7-3-2-6(4-9(7)25-12)17-13(20)11-8(19(22)23)5-16-18-11/h2-5H,1H3,(H,16,18)(H,17,20)