tert-butyl 4-[2-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(5-chloro-3-oxo-isothiazol-2-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-chloro-3-oxo-2-isothiazolyl)-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-chloro-3-oxo-1,2-thiazol-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-chloro-3-keto-4-isothiazolin-2-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C14H20ClN3O4S MolecularWeight: 361.8443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=C(S2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=C(S2)Cl

InChI

InChI=1S/C14H20ClN3O4S/c1-14(2,3)22-13(21)17-6-4-16(5-7-17)12(20)9-18-11(19)8-10(15)23-18/h8H,4-7,9H2,1-3H3