methyl 3-chloranyl-6-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H15ClN4O5S MolecularWeight: 470.8856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H15ClN4O5S/c1-31-21(28)19-18(22)16-7-6-14(8-17(16)32-19)24-20(27)13-4-2-12(3-5-13)10-25-11-15(9-23-25)26(29)30/h2-9,11H,10H2,1H3,(H,24,27)