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

Systemtic Name: dimethyl 2-[2-(4-bromanyl-2-ethyl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: 2-[[2-(4-bromo-2-ethylphenoxy)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: 2-[[2-(4-bromo-2-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=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

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