5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2-fluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[[3-[bis(2-hydroxyethyl)amino]propylamino]-oxomethyl]amino]-3-[(2-fluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2-fluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-(2-fluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxylic acid Formula: C20H27FN4O6S MolecularWeight: 470.514983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN4O6S/c1-13-3-4-14(15(21)11-13)12-31-17-16(19(28)29)18(32-24-17)23-20(30)22-5-2-6-25(7-9-26)8-10-27/h3-4,11,26-27H,2,5-10,12H2,1H3,(H,28,29)(H2,22,23,30)