3-ethylsulfanyl-5-(hexylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-ethylsulfanyl-5-(hexylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-ethylsulfanyl-5-(hexylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(ethylthio)-5-[[(hexylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-ethylsulfanyl-5-(hexylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(ethylthio)-5-(hexylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C13H21N3O3S2 MolecularWeight: 331.45414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=C(C(=NS1)SCC)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)NC1=C(C(=NS1)SCC)C(=O)O

InChI

InChI=1S/C13H21N3O3S2/c1-3-5-6-7-8-14-13(19)15-10-9(12(17)18)11(16-21-10)20-4-2/h3-8H2,1-2H3,(H,17,18)(H2,14,15,19)