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

Systemtic Name: methyl 3-chloranyl-6-[2-(4-nitropyrazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C15H11ClN4O5S MolecularWeight: 394.78964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN4O5S/c1-25-15(22)14-13(16)10-3-2-8(4-11(10)26-14)18-12(21)7-19-6-9(5-17-19)20(23)24/h2-6H,7H2,1H3,(H,18,21)