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

Systemtic Name: bis(phenylmethyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dibenzyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)malonic acid dibenzyl ester Formula: C24H19NO5S MolecularWeight: 433.47636

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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=CC=CC=C4SC3=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C(=O)OCC2=CC=CC=C2)N3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C24H19NO5S/c26-22(29-15-17-9-3-1-4-10-17)21(23(27)30-16-18-11-5-2-6-12-18)25-19-13-7-8-14-20(19)31-24(25)28/h1-14,21H,15-16H2