(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H16BrNO5S MolecularWeight: 426.28164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)NC(=O)C)C

InChI

InChI=1S/C17H16BrNO5S/c1-8-9(2)25-16(19-10(3)20)15(8)17(21)22-6-11-4-13-14(5-12(11)18)24-7-23-13/h4-5H,6-7H2,1-3H3,(H,19,20)