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

Systemtic Name: methyl 3-chloranyl-6-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C14H8Cl2N4O5S MolecularWeight: 415.20812

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H8Cl2N4O5S/c1-25-14(22)11-8(15)6-3-2-5(4-7(6)26-11)17-13(21)10-9(16)12(19-18-10)20(23)24/h2-4H,1H3,(H,17,21)(H,18,19)