[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C19H14ClFN2O6S MolecularWeight: 452.840663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClFN2O6S/c1-9-5-13(23(26)27)14(28-2)7-12(9)22-16(24)8-29-19(25)18-17(20)11-4-3-10(21)6-15(11)30-18/h3-7H,8H2,1-2H3,(H,22,24)