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

Systemtic Name: 2-[4-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(2-oxoazepan-3-yl)sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(2-oxo-3-azepanyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(2-oxoazepan-3-yl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(2-ketoazepan-3-yl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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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)SC2CCCCNC2=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)