ethyl 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26BrNO6S MolecularWeight: 512.41394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

InChI

InChI=1S/C22H26BrNO6S/c1-6-30-22(26)16-15-11(2)8-7-9-14(15)31-21(16)24-20(25)12-10-13(27-3)18(28-4)19(29-5)17(12)23/h10-11H,6-9H2,1-5H3,(H,24,25)