3-[(2-fluorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluorophenyl)methylthio]-5-[[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(2-fluorobenzyl)thio]-5-(3-pyrrolidinopropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C19H23FN4O3S2 MolecularWeight: 438.539323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)NC2=C(C(=NS2)SCC3=CC=CC=C3F)C(=O)O

Isomeric SMILES

C1CCN(C1)CCCNC(=O)NC2=C(C(=NS2)SCC3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C19H23FN4O3S2/c20-14-7-2-1-6-13(14)12-28-17-15(18(25)26)16(29-23-17)22-19(27)21-8-5-11-24-9-3-4-10-24/h1-2,6-7H,3-5,8-12H2,(H,25,26)(H2,21,22,27)