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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-bromo-4-propan-2-ylphenoxy)-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-propan-2-ylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C25H32BrNO6S MolecularWeight: 554.49368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

InChI

InChI=1S/C25H32BrNO6S/c1-7-31-24(29)21-16(6)22(25(30)33-15(4)5)34-23(21)27-20(28)9-8-12-32-19-11-10-17(14(2)3)13-18(19)26/h10-11,13-15H,7-9,12H2,1-6H3,(H,27,28)