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

Systemtic Name: methyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26BrNO4S MolecularWeight: 480.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C22H26BrNO4S/c1-12(2)16-10-14(23)6-8-17(16)28-11-19(25)24-21-20(22(26)27-4)15-7-5-13(3)9-18(15)29-21/h6,8,10,12-13H,5,7,9,11H2,1-4H3,(H,24,25)