bis(phenylmethyl) 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: bis(phenylmethyl) 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dibenzyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(6-bromo-2-keto-1,3-benzothiazol-3-yl)malonic acid dibenzyl ester Formula: C24H18BrNO5S MolecularWeight: 512.37242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(=O)OCC2=CC=CC=C2)N3C4=C(C=C(C=C4)Br)SC3=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C(=O)OCC2=CC=CC=C2)N3C4=C(C=C(C=C4)Br)SC3=O

InChI

InChI=1S/C24H18BrNO5S/c25-18-11-12-19-20(13-18)32-24(29)26(19)21(22(27)30-14-16-7-3-1-4-8-16)23(28)31-15-17-9-5-2-6-10-17/h1-13,21H,14-15H2