methyl 3-chloranyl-6-[[5-[(2-chloranyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[5-[(2-chloranyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[5-[(2-chloro-4-nitro-phenoxy)methyl]furan-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[5-[(2-chloro-4-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[5-[(2-chloro-4-nitro-phenoxy)methyl]-2-furoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H14Cl2N2O7S MolecularWeight: 521.32676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)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=CC=C(O3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C22H14Cl2N2O7S/c1-31-22(28)20-19(24)14-5-2-11(8-18(14)34-20)25-21(27)17-7-4-13(33-17)10-32-16-6-3-12(26(29)30)9-15(16)23/h2-9H,10H2,1H3,(H,25,27)