methyl 2-[(2-acetamido-1,3-thiazol-4-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(2-acetamido-1,3-thiazol-4-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(2-acetamidothiazole-4-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(2-acetamido-4-thiazolyl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(2-acetamidothiazole-4-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CSC(=N1)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CSC(=N1)NC(=O)C

InChI

InChI=1S/C13H19N3O4S/c1-7(2)5-9(12(19)20-4)15-11(18)10-6-21-13(16-10)14-8(3)17/h6-7,9H,5H2,1-4H3,(H,15,18)(H,14,16,17)