ethyl 4-[2-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(2-methylthiazol-4-yl)methylthio]benzoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C

InChI

InChI=1S/C21H25N3O5S2/c1-3-28-21(27)24-10-8-23(9-11-24)19(25)12-29-20(26)17-6-4-5-7-18(17)31-14-16-13-30-15(2)22-16/h4-7,13H,3,8-12,14H2,1-2H3