methyl 2,4-bis(fluoranyl)-5-[4-(thiophen-2-ylcarbonylamino)butanoylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[4-(thiophen-2-ylcarbonylamino)butanoylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate Traditional Name: 2,4-difluoro-5-[4-(2-thenoylamino)butanoylamino]benzoic acid methyl ester Formula: C17H16F2N2O4S MolecularWeight: 382.381746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCNC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCNC(=O)C2=CC=CS2

InChI

InChI=1S/C17H16F2N2O4S/c1-25-17(24)10-8-13(12(19)9-11(10)18)21-15(22)5-2-6-20-16(23)14-4-3-7-26-14/h3-4,7-9H,2,5-6H2,1H3,(H,20,23)(H,21,22)