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

Systemtic Name: ethyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H34BrNO5S MolecularWeight: 552.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C26H34BrNO5S/c1-7-33-25(30)23-17-10-9-16(26(2,3)4)13-21(17)34-24(23)28-22(29)11-8-15-12-19(31-5)20(32-6)14-18(15)27/h12,14,16H,7-11,13H2,1-6H3,(H,28,29)