[4-[3-(2-bromoethyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]-2,6-ditert-butyl-phenyl] ethanoate

Systemtic Name: [4-[3-(2-bromoethyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]-2,6-ditert-butyl-phenyl] ethanoate Openeye Name: [4-[3-(2-bromoethyl)-4-oxo-thiazolidin-2-yl]-2,6-ditert-butyl-phenyl] acetate CAS Name: acetic acid [4-[3-(2-bromoethyl)-4-oxo-2-thiazolidinyl]-2,6-ditert-butylphenyl] ester IUPAC Name: [4-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-yl]-2,6-ditert-butylphenyl] acetate Traditional Name: acetic acid [4-[3-(2-bromoethyl)-4-keto-thiazolidin-2-yl]-2,6-ditert-butyl-phenyl] ester Formula: C21H30BrNO3S MolecularWeight: 456.4368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)C2N(C(=O)CS2)CCBr)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)C2N(C(=O)CS2)CCBr)C(C)(C)C

InChI

InChI=1S/C21H30BrNO3S/c1-13(24)26-18-15(20(2,3)4)10-14(11-16(18)21(5,6)7)19-23(9-8-22)17(25)12-27-19/h10-11,19H,8-9,12H2,1-7H3