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

Systemtic Name: methyl 3-chloranyl-6-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[5-[(3-methyl-4-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[5-[(3-methyl-4-nitro-phenoxy)methyl]-2-furoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H17ClN2O7S MolecularWeight: 500.90828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN2O7S/c1-12-9-14(4-7-17(12)26(29)30)32-11-15-5-8-18(33-15)22(27)25-13-3-6-16-19(10-13)34-21(20(16)24)23(28)31-2/h3-10H,11H2,1-2H3,(H,25,27)