dihexyl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: dihexyl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dihexyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioic acid dihexyl ester IUPAC Name: dihexyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)malonic acid dihexyl ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C(=O)OCCCCCC)N1C2=CC=CC=C2SC1=O

Isomeric SMILES

CCCCCCOC(=O)C(C(=O)OCCCCCC)N1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C22H31NO5S/c1-3-5-7-11-15-27-20(24)19(21(25)28-16-12-8-6-4-2)23-17-13-9-10-14-18(17)29-22(23)26/h9-10,13-14,19H,3-8,11-12,15-16H2,1-2H3