methyl 4-fluoranyl-3-[3-(thiophen-2-ylcarbonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[3-(thiophen-2-ylcarbonylamino)propanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[3-(thiophene-2-carbonylamino)propanoylamino]benzoate CAS Name: 4-fluoro-3-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[3-(thiophene-2-carbonylamino)propanoylamino]benzoate Traditional Name: 4-fluoro-3-[3-(2-thenoylamino)propanoylamino]benzoic acid methyl ester Formula: C16H15FN2O4S MolecularWeight: 350.364703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O4S/c1-23-16(22)10-4-5-11(17)12(9-10)19-14(20)6-7-18-15(21)13-3-2-8-24-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H,19,20)