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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C16H12BrClN4O5S/c1-27-16(24)14-13(18)9-3-2-8(6-11(9)28-14)19-12(23)4-5-21-7-10(17)15(20-21)22(25)26/h2-3,6-7H,4-5H2,1H3,(H,19,23)