5-(oxolan-2-ylmethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(oxolan-2-ylmethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 3-pentylsulfanyl-5-(tetrahydrofuran-2-ylmethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 5-[[oxo-(2-oxolanylmethylamino)methyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(oxolan-2-ylmethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(tetrahydrofurfurylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H23N3O4S2 MolecularWeight: 373.49082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC2CCCO2

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC2CCCO2

InChI

InChI=1S/C15H23N3O4S2/c1-2-3-4-8-23-13-11(14(19)20)12(24-18-13)17-15(21)16-9-10-6-5-7-22-10/h10H,2-9H2,1H3,(H,19,20)(H2,16,17,21)