5-fluoranyl-3-[[3-(methoxycarbonylamino)thiophen-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[3-(methoxycarbonylamino)thiophen-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[3-(methoxycarbonylamino)thiophene-2-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[3-(methoxycarbonylamino)-2-thiophenyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[3-(methoxycarbonylamino)thiophene-2-carbonyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[3-(carbomethoxyamino)thiophene-2-carbonyl]amino]-5-fluoro-4-keto-valeric acid Formula: C12H13FN2O6S MolecularWeight: 332.304823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(SC=C1)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

COC(=O)NC1=C(SC=C1)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C12H13FN2O6S/c1-21-12(20)15-6-2-3-22-10(6)11(19)14-7(4-9(17)18)8(16)5-13/h2-3,7H,4-5H2,1H3,(H,14,19)(H,15,20)(H,17,18)