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

Systemtic Name: methyl 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

InChI

InChI=1S/C21H24BrNO6S/c1-10-6-7-11-14(8-10)30-20(15(11)21(25)29-5)23-19(24)12-9-13(26-2)17(27-3)18(28-4)16(12)22/h9-10H,6-8H2,1-5H3,(H,23,24)