2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-methyl-thiazol-5-yl]acetate Formula: C14H19N2O3S2- MolecularWeight: 327.44226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)N2CCCCCC2)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)N2CCCCCC2)CC(=O)[O-]

InChI

InChI=1S/C14H20N2O3S2/c1-10-11(8-13(18)19)21-14(15-10)20-9-12(17)16-6-4-2-3-5-7-16/h2-9H2,1H3,(H,18,19)/p-1