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

Systemtic Name: 2-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-keto-2-(sec-butylamino)ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=C(S1)CC(=O)O)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=C(S1)CC(=O)O)C

InChI

InChI=1S/C12H18N2O3S2/c1-4-7(2)13-10(15)6-18-12-14-8(3)9(19-12)5-11(16)17/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17)