6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(4-fluoroanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 6-[2-(4-fluoroanilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid Formula: C13H13FN2O4S MolecularWeight: 312.316723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C13H13FN2O4S/c14-7-1-3-8(4-2-7)15-11(17)5-10-12(18)16-9(6-21-10)13(19)20/h1-4,9-10H,5-6H2,(H,15,17)(H,16,18)(H,19,20)