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

Systemtic Name: methyl 3-chloranyl-6-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c1-3-20-7-10(21(24)25)13(19-20)15(22)18-8-4-5-9-11(6-8)27-14(12(9)17)16(23)26-2/h4-7H,3H2,1-2H3,(H,18,22)