3-[(2-chloranyl-5-fluoranyl-4-methyl-phenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-5-fluoranyl-4-methyl-phenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-chloro-5-fluoro-4-methyl-phenyl)methoxy]-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(2-chloro-5-fluoro-4-methylphenyl)methoxy]-5-[[oxo-[5-(propan-2-ylamino)pentylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-chloro-5-fluoro-4-methylphenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-chloro-5-fluoro-4-methyl-benzyl)oxy-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C21H28ClFN4O4S MolecularWeight: 486.987823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)Cl)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCNC(C)C)F

Isomeric SMILES

CC1=C(C=C(C(=C1)Cl)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCNC(C)C)F

InChI

InChI=1S/C21H28ClFN4O4S/c1-12(2)24-7-5-4-6-8-25-21(30)26-19-17(20(28)29)18(27-32-19)31-11-14-10-16(23)13(3)9-15(14)22/h9-10,12,24H,4-8,11H2,1-3H3,(H,28,29)(H2,25,26,30)