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

Systemtic Name: dimethyl 2-[[4-[2-(6-butyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-[2-(6-butyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-(6-butyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-(6-butyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Traditional Name: 2-[4-[2-(6-butyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]benzyl]malonic acid dimethyl ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H29NO6S/c1-4-5-6-17-9-12-21-22(16-17)33-25(29)26(21)13-14-32-19-10-7-18(8-11-19)15-20(23(27)30-2)24(28)31-3/h7-12,16,20H,4-6,13-15H2,1-3H3