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

Systemtic Name: methyl 3-chloranyl-6-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c1-8-5-12(21(24)25)19-20(8)7-13(22)18-9-3-4-10-11(6-9)27-15(14(10)17)16(23)26-2/h3-6H,7H2,1-2H3,(H,18,22)