dimethyl 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: 2-[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C21H22BrNO6S/c1-4-11-5-7-14(13(22)9-11)29-10-16(24)23-19-18(21(26)28-3)17-12(20(25)27-2)6-8-15(17)30-19/h5,7,9,12H,4,6,8,10H2,1-3H3,(H,23,24)