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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(SN=C1C)NC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(SN=C1C)NC

InChI

InChI=1S/C13H21N3O3S/c1-5-9(6-2)15-10(17)7-19-13(18)11-8(3)16-20-12(11)14-4/h9,14H,5-7H2,1-4H3,(H,15,17)