5-(dimethylcarbamoylamino)-3-(3-oxidanylbutylsulfanyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-(3-oxidanylbutylsulfanyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-(3-hydroxybutylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(3-hydroxybutylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-(3-hydroxybutylsulfanyl)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-(3-hydroxybutylthio)isothiazole-4-carboxylic acid Formula: C11H17N3O4S2 MolecularWeight: 319.40038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC1=NSC(=C1C(=O)O)NC(=O)N(C)C)O

Isomeric SMILES

CC(CCSC1=NSC(=C1C(=O)O)NC(=O)N(C)C)O

InChI

InChI=1S/C11H17N3O4S2/c1-6(15)4-5-19-9-7(10(16)17)8(20-13-9)12-11(18)14(2)3/h6,15H,4-5H2,1-3H3,(H,12,18)(H,16,17)