3-[[1,3-bis(fluoranyl)naphthalen-2-yl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[[1,3-bis(fluoranyl)naphthalen-2-yl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(1,3-difluoro-2-naphthyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(1,3-difluoro-2-naphthalenyl)methoxy]-5-[[oxo-[4-(1-pyrrolidinyl)butylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(1,3-difluoronaphthalen-2-yl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(1,3-difluoro-2-naphthyl)methoxy]-5-(4-pyrrolidinobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C24H26F2N4O4S MolecularWeight: 504.549446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C4=CC=CC=C4C=C3F)F)C(=O)O

Isomeric SMILES

C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C4=CC=CC=C4C=C3F)F)C(=O)O

InChI

InChI=1S/C24H26F2N4O4S/c25-18-13-15-7-1-2-8-16(15)20(26)17(18)14-34-21-19(23(31)32)22(35-29-21)28-24(33)27-9-3-4-10-30-11-5-6-12-30/h1-2,7-8,13H,3-6,9-12,14H2,(H,31,32)(H2,27,28,33)