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

Systemtic Name: 2-[4-methyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-methyl-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-[[(3S)-2-oxo-3-azepanyl]thio]-5-thiazolyl]acetate IUPAC Name: 2-[4-methyl-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[[(3S)-2-ketoazepan-3-yl]thio]-4-methyl-thiazol-5-yl]acetate Formula: C12H15N2O3S2- MolecularWeight: 299.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2CCCCNC2=O)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)S[C@H]2CCCCNC2=O)CC(=O)[O-]

InChI

InChI=1S/C12H16N2O3S2/c1-7-9(6-10(15)16)19-12(14-7)18-8-4-2-3-5-13-11(8)17/h8H,2-6H2,1H3,(H,13,17)(H,15,16)/p-1/t8-/m0/s1