[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H10ClFN2O3S MolecularWeight: 388.800003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N)F

InChI

InChI=1S/C18H10ClFN2O3S/c19-11-5-4-10(8-21)14(6-11)22-17(23)9-25-18(24)16-7-12-13(20)2-1-3-15(12)26-16/h1-7H,9H2,(H,22,23)