ethyl 2-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30BrNO4S MolecularWeight: 544.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=C(C=C(C(=C3)C)Br)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=C(C=C(C(=C3)C)Br)C(C)C

InChI

InChI=1S/C27H30BrNO4S/c1-6-18-8-10-19(11-9-18)21-15-34-26(25(21)27(31)32-7-2)29-24(30)14-33-23-12-17(5)22(28)13-20(23)16(3)4/h8-13,15-16H,6-7,14H2,1-5H3,(H,29,30)