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

Systemtic Name: dimethyl 2-[[4-[2-(6-butanoyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methylidene]propanedioate Openeye Name: dimethyl 2-[[4-[2-(6-butanoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methylene]propanedioate CAS Name: 2-[[4-[2-[2-oxo-6-(1-oxobutyl)-1,3-benzothiazol-3-yl]ethoxy]phenyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-(6-butanoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methylidene]propanedioate Traditional Name: 2-[4-[2-(6-butyryl-2-keto-1,3-benzothiazol-3-yl)ethoxy]benzylidene]malonic acid dimethyl ester Formula: C25H25NO7S MolecularWeight: 483.5335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO7S/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/h6-11,14-15H,4-5,12-13H2,1-3H3