2-[4-methyl-2-(3-oxidanylidenebutanoylamino)-1,3-thiazol-5-yl]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[4-methyl-2-(3-oxidanylidenebutanoylamino)-1,3-thiazol-5-yl]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-[4-methyl-2-(3-oxobutanoylamino)thiazol-5-yl]ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[2-(1,3-dioxobutylamino)-4-methyl-5-thiazolyl]ethyl ester IUPAC Name: 2-[4-methyl-2-(3-oxobutanoylamino)-1,3-thiazol-5-yl]ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[2-(acetoacetylamino)-4-methyl-thiazol-5-yl]ethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CC(=O)C)CCOC(=O)CC(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC(=O)C)CCOC(=O)CC(=O)C

InChI

InChI=1S/C14H18N2O5S/c1-8(17)6-12(19)16-14-15-10(3)11(22-14)4-5-21-13(20)7-9(2)18/h4-7H2,1-3H3,(H,15,16,19)