[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H16BrFN2O4S MolecularWeight: 443.287343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)NC(=O)COC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

C1=CC(=C(C=C1Br)F)NC(=O)COC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C17H16BrFN2O4S/c18-12-3-4-14(13(19)8-12)21-15(22)9-25-16(23)2-1-6-20-17(24)11-5-7-26-10-11/h3-5,7-8,10H,1-2,6,9H2,(H,20,24)(H,21,22)