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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-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(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br

InChI

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