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

Systemtic Name: dimethyl 2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O)C(=O)OC

InChI

InChI=1S/C21H21NO6S/c1-26-19(23)16(20(24)27-2)13-14-7-9-15(10-8-14)28-12-11-22-17-5-3-4-6-18(17)29-21(22)25/h3-10,16H,11-13H2,1-2H3