[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H20N4O4S MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(SN=C1C)NC

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(SN=C1C)NC

InChI

InChI=1S/C13H20N4O4S/c1-4-5-6-15-13(20)16-9(18)7-21-12(19)10-8(2)17-22-11(10)14-3/h14H,4-7H2,1-3H3,(H2,15,16,18,20)