ethyl 2-[2-(3-methylbutanoylcarbamothioylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3-methylbutanoylcarbamothioylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(3-methylbutanoylcarbamothioylamino)thiazol-4-yl]acetate CAS Name: 2-[2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-methylbutanoylcarbamothioylamino)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(isovalerylthiocarbamoylamino)thiazol-4-yl]acetic acid ethyl ester Formula: C13H19N3O3S2 MolecularWeight: 329.43826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C13H19N3O3S2/c1-4-19-11(18)6-9-7-21-13(14-9)16-12(20)15-10(17)5-8(2)3/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,20)