2-[4-methyl-2-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-[[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]thio]-5-thiazolyl]acetate IUPAC Name: 2-[4-methyl-2-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]thio]-4-methyl-thiazol-5-yl]acetate Formula: C14H21N2O3S2- MolecularWeight: 329.45814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC(C)C(=O)NCCC(C)C)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)S[C@@H](C)C(=O)NCCC(C)C)CC(=O)[O-]

InChI

InChI=1S/C14H22N2O3S2/c1-8(2)5-6-15-13(19)10(4)20-14-16-9(3)11(21-14)7-12(17)18/h8,10H,5-7H2,1-4H3,(H,15,19)(H,17,18)/p-1/t10-/m0/s1