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

Systemtic Name: methyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)C)Br

InChI

InChI=1S/C20H22BrNO4S/c1-10-8-13(21)9-11(2)17(10)26-12(3)18(23)22-19-16(20(24)25-4)14-6-5-7-15(14)27-19/h8-9,12H,5-7H2,1-4H3,(H,22,23)