ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H32BrNO4S MolecularWeight: 522.49488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCCOC3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCCOC3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C25H32BrNO4S/c1-5-30-25(29)23-18-10-8-16(4)13-21(18)32-24(23)27-22(28)7-6-12-31-20-11-9-17(15(2)3)14-19(20)26/h9,11,14-16H,5-8,10,12-13H2,1-4H3,(H,27,28)