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

Systemtic Name: dipropyl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dipropyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioic acid dipropyl ester IUPAC Name: dipropyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)malonic acid dipropyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=O)OCCC)N1C2=CC=CC=C2SC1=O

Isomeric SMILES

CCCOC(=O)C(C(=O)OCCC)N1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C16H19NO5S/c1-3-9-21-14(18)13(15(19)22-10-4-2)17-11-7-5-6-8-12(11)23-16(17)20/h5-8,13H,3-4,9-10H2,1-2H3