methyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br)OC

InChI

InChI=1S/C20H22BrNO5S/c1-25-14-9-11(13(21)10-15(14)26-2)7-8-17(23)22-19-18(20(24)27-3)12-5-4-6-16(12)28-19/h9-10H,4-8H2,1-3H3,(H,22,23)