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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-6-tert-butyl-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-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H38BrNO4S MolecularWeight: 564.57462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38BrNO4S/c1-7-33-27(32)25-20-12-11-19(28(4,5)6)16-23(20)35-26(25)30-24(31)9-8-14-34-22-13-10-18(17(2)3)15-21(22)29/h10,13,15,17,19H,7-9,11-12,14,16H2,1-6H3,(H,30,31)