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

Systemtic Name: methyl 6-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H12BrClN4O5S MolecularWeight: 487.71228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN4O5S/c1-7-12(17)15(22(25)26)20-21(7)6-11(23)19-8-3-4-9-10(5-8)28-14(13(9)18)16(24)27-2/h3-5H,6H2,1-2H3,(H,19,23)