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

Systemtic Name: methyl 3-chloranyl-6-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C15H11ClN4O5S MolecularWeight: 394.78964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O5S/c1-19-6-9(20(23)24)12(18-19)14(21)17-7-3-4-8-10(5-7)26-13(11(8)16)15(22)25-2/h3-6H,1-2H3,(H,17,21)