diethyl 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: diethyl 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: diethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)malonic acid diethyl ester Formula: C14H14ClNO5S MolecularWeight: 343.78266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C2=C(C=CC=C2Cl)SC1=O

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C2=C(C=CC=C2Cl)SC1=O

InChI

InChI=1S/C14H14ClNO5S/c1-3-20-12(17)11(13(18)21-4-2)16-10-8(15)6-5-7-9(10)22-14(16)19/h5-7,11H,3-4H2,1-2H3