ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26BrNO5S MolecularWeight: 496.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C22H26BrNO5S/c1-4-29-22(26)20-14-7-5-6-8-18(14)30-21(20)24-19(25)10-9-13-11-16(27-2)17(28-3)12-15(13)23/h11-12H,4-10H2,1-3H3,(H,24,25)