methyl 4-(4-bromophenyl)-2-[2-(3-ethylphenoxy)ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(3-ethylphenoxy)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(3-ethylphenoxy)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(3-ethylphenoxy)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(3-ethylphenoxy)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(3-ethylphenoxy)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C23H22BrNO4S/c1-4-15-6-5-7-18(12-15)29-13-19(26)25-22-21(23(27)28-3)20(14(2)30-22)16-8-10-17(24)11-9-16/h5-12H,4,13H2,1-3H3,(H,25,26)