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

Systemtic Name: methyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H32BrNO5S MolecularWeight: 538.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C25H32BrNO5S/c1-25(2,3)15-8-9-16-20(12-15)33-23(22(16)24(29)32-6)27-21(28)10-7-14-11-18(30-4)19(31-5)13-17(14)26/h11,13,15H,7-10,12H2,1-6H3,(H,27,28)