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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O5S/c1-9(7-21-8-11(6-19-21)22(25)26)16(23)20-10-3-4-12-13(5-10)28-15(14(12)18)17(24)27-2/h3-6,8-9H,7H2,1-2H3,(H,20,23)