2-[4-methyl-2-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-(isopropylcarbamoylamino)-2-keto-ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S2/c1-6(2)13-11(19)15-9(16)5-20-12-14-7(3)8(21-12)4-10(17)18/h6H,4-5H2,1-3H3,(H,17,18)(H2,13,15,16,19)