O4-ethyl O2-propan-2-yl 5-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C24H30BrNO6S MolecularWeight: 540.4671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrNO6S/c1-6-16-10-11-18(17(25)13-16)31-12-8-9-19(27)26-22-20(23(28)30-7-2)15(5)21(33-22)24(29)32-14(3)4/h10-11,13-14H,6-9,12H2,1-5H3,(H,26,27)