methyl 3-chloranyl-6-[2-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-(5-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S/c1-8-12(22(25)26)7-19-21(8)9(2)16(23)20-10-4-5-11-13(6-10)28-15(14(11)18)17(24)27-3/h4-7,9H,1-3H3,(H,20,23)