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

Systemtic Name: 2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H19N3O3S2 MolecularWeight: 329.43826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)N2CCN(CC2)C)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)N2CCN(CC2)C)CC(=O)O

InChI

InChI=1S/C13H19N3O3S2/c1-9-10(7-12(18)19)21-13(14-9)20-8-11(17)16-5-3-15(2)4-6-16/h3-8H2,1-2H3,(H,18,19)