(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15BrO5S MolecularWeight: 411.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H15BrO5S/c1-10-2-4-16(24-10)13(19)3-5-17(20)21-8-11-6-14-15(7-12(11)18)23-9-22-14/h2,4,6-7H,3,5,8-9H2,1H3