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

Systemtic Name: methyl 3-chloranyl-6-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H14Cl2N4O6S MolecularWeight: 521.33006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O6S/c1-32-21(29)19-18(23)13-4-2-11(8-17(13)34-19)24-20(28)15-6-7-26(25-15)10-33-16-5-3-12(27(30)31)9-14(16)22/h2-9H,10H2,1H3,(H,24,28)