methyl 2,4-bis(fluoranyl)-5-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[4-(thiophene-3-carbonylamino)butanoylamino]benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[4-(thiophene-3-carbonylamino)butanoylamino]benzoate Traditional Name: 2,4-difluoro-5-[4-(3-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=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H16F2N2O4S/c1-25-17(24)11-7-14(13(19)8-12(11)18)21-15(22)3-2-5-20-16(23)10-4-6-26-9-10/h4,6-9H,2-3,5H2,1H3,(H,20,23)(H,21,22)