[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C19H13ClFN3O5S MolecularWeight: 449.840023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C19H13ClFN3O5S/c20-15-12-2-1-10(21)6-13(12)30-16(15)19(28)29-7-14(25)24-11-4-8(17(22)26)3-9(5-11)18(23)27/h1-6H,7H2,(H2,22,26)(H2,23,27)(H,24,25)