dicyclohexyl 2-(6-bromanyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: dicyclohexyl 2-(6-bromanyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dicyclohexyl 2-(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 2-(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(6-bromo-2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)malonic acid dicyclohexyl ester Formula: C22H32BrNO5S MolecularWeight: 502.46218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C(=O)OC2CCCCC2)N3C4CCC(CC4SC3=O)Br

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C(=O)OC2CCCCC2)N3C4CCC(CC4SC3=O)Br

InChI

InChI=1S/C22H32BrNO5S/c23-14-11-12-17-18(13-14)30-22(27)24(17)19(20(25)28-15-7-3-1-4-8-15)21(26)29-16-9-5-2-6-10-16/h14-19H,1-13H2