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

Systemtic Name: 2-[2-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[1-methyl-2-oxo-2-(sec-butylamino)ethyl]sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-keto-1-methyl-2-(sec-butylamino)ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H20N2O3S2 MolecularWeight: 316.4395

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)SC1=NC(=C(S1)CC(=O)O)C

Isomeric SMILES

CCC(C)NC(=O)C(C)SC1=NC(=C(S1)CC(=O)O)C

InChI

InChI=1S/C13H20N2O3S2/c1-5-7(2)14-12(18)9(4)19-13-15-8(3)10(20-13)6-11(16)17/h7,9H,5-6H2,1-4H3,(H,14,18)(H,16,17)