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

Systemtic Name: dimethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: dimethyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester Formula: C22H24BrNO6S MolecularWeight: 510.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C22H24BrNO6S/c1-12-6-8-15(14(23)11-12)30-10-4-5-17(25)24-20-19(22(27)29-3)18-13(21(26)28-2)7-9-16(18)31-20/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H,24,25)