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

Systemtic Name: 5-(2-oxidanylpropylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-hydroxypropylcarbamoylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[(2-hydroxypropylamino)-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(2-hydroxypropylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(2-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C13H21N3O4S2 MolecularWeight: 347.45354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC(C)O

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC(C)O

InChI

InChI=1S/C13H21N3O4S2/c1-3-4-5-6-21-11-9(12(18)19)10(22-16-11)15-13(20)14-7-8(2)17/h8,17H,3-7H2,1-2H3,(H,18,19)(H2,14,15,20)