3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-(morpholin-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-(morpholin-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-(morpholin-2-ylmethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[(2-morpholinylmethylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-(morpholin-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-(morpholin-2-ylmethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C18H21FN4O5S MolecularWeight: 424.446543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC3CNCCO3)F

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC3CNCCO3)F

InChI

InChI=1S/C18H21FN4O5S/c1-10-2-3-11(13(19)6-10)9-28-15-14(17(24)25)16(29-23-15)22-18(26)21-8-12-7-20-4-5-27-12/h2-3,6,12,20H,4-5,7-9H2,1H3,(H,24,25)(H2,21,22,26)