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

Systemtic Name: 6-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 6-[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid Formula: C14H15FN2O4S MolecularWeight: 326.343303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)O)F

InChI

InChI=1S/C14H15FN2O4S/c1-7-2-3-9(8(15)4-7)16-12(18)5-11-13(19)17-10(6-22-11)14(20)21/h2-4,10-11H,5-6H2,1H3,(H,16,18)(H,17,19)(H,20,21)