diethyl 2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Traditional Name: 2-[4-[2-(2-keto-1,3-benzothiazol-3-yl)ethoxy]benzyl]malonic acid diethyl ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O)C(=O)OCC

InChI

InChI=1S/C23H25NO6S/c1-3-28-21(25)18(22(26)29-4-2)15-16-9-11-17(12-10-16)30-14-13-24-19-7-5-6-8-20(19)31-23(24)27/h5-12,18H,3-4,13-15H2,1-2H3