dibutyl 2-(1,3-benzothiazol-2-yl)propanedioate

Systemtic Name: dibutyl 2-(1,3-benzothiazol-2-yl)propanedioate Openeye Name: dibutyl 2-(1,3-benzothiazol-2-yl)propanedioate CAS Name: 2-(1,3-benzothiazol-2-yl)propanedioic acid dibutyl ester IUPAC Name: dibutyl 2-(1,3-benzothiazol-2-yl)propanedioate Traditional Name: 2-(1,3-benzothiazol-2-yl)malonic acid dibutyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1=NC2=CC=CC=C2S1)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C(C1=NC2=CC=CC=C2S1)C(=O)OCCCC

InChI

InChI=1S/C18H23NO4S/c1-3-5-11-22-17(20)15(18(21)23-12-6-4-2)16-19-13-9-7-8-10-14(13)24-16/h7-10,15H,3-6,11-12H2,1-2H3