dimethyl 2-[[4-[2-(6-butanoyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[4-[2-(6-butanoyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-[2-(6-butanoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-[2-oxo-6-(1-oxobutyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-(6-butanoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Traditional Name: 2-[4-[2-(6-butyryl-2-keto-1,3-benzothiazol-3-yl)ethoxy]benzyl]malonic acid dimethyl ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H27NO7S/c1-4-5-21(27)17-8-11-20-22(15-17)34-25(30)26(20)12-13-33-18-9-6-16(7-10-18)14-19(23(28)31-2)24(29)32-3/h6-11,15,19H,4-5,12-14H2,1-3H3