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

Systemtic Name: 3-[(2-fluoranyl-3-methyl-phenyl)methoxy]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-3-methyl-phenyl)methoxy]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-3-methylphenyl)methoxy]-5-[[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-3-methylphenyl)methoxy]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-3-methyl-benzyl)oxy-5-(3-pyrrolidinopropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C20H25FN4O4S MolecularWeight: 436.500303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3CCCC3)F

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3CCCC3)F

InChI

InChI=1S/C20H25FN4O4S/c1-13-6-4-7-14(16(13)21)12-29-17-15(19(26)27)18(30-24-17)23-20(28)22-8-5-11-25-9-2-3-10-25/h4,6-7H,2-3,5,8-12H2,1H3,(H,26,27)(H2,22,23,28)