methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C21H24BrNO4S/c1-21(2,3)14-10-12(22)8-9-15(14)27-11-17(24)23-19-18(20(25)26-4)13-6-5-7-16(13)28-19/h8-10H,5-7,11H2,1-4H3,(H,23,24)