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

Systemtic Name: 5-(2-hydroxyethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-hydroxyethylcarbamoylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[(2-hydroxyethylamino)-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(2-hydroxyethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(2-hydroxyethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C12H19N3O4S2 MolecularWeight: 333.42696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4S2/c1-2-3-4-7-20-10-8(11(17)18)9(21-15-10)14-12(19)13-5-6-16/h16H,2-7H2,1H3,(H,17,18)(H2,13,14,19)