4-[[4-methyl-5-(2-methylpropoxycarbonyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-methyl-5-(2-methylpropoxycarbonyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-isobutoxycarbonyl-4-methyl-thiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[4-methyl-5-[2-methylpropoxy(oxo)methyl]-2-thiazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-methyl-5-(2-methylpropoxycarbonyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(5-isobutoxycarbonyl-4-methyl-thiazol-2-yl)amino]-4-keto-butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC(=O)O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC(=O)O)C(=O)OCC(C)C

InChI

InChI=1S/C13H18N2O5S/c1-7(2)6-20-12(19)11-8(3)14-13(21-11)15-9(16)4-5-10(17)18/h7H,4-6H2,1-3H3,(H,17,18)(H,14,15,16)