methyl 4-(4-bromophenyl)-2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H17BrClNO4S MolecularWeight: 494.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C21H17BrClNO4S/c1-12-9-15(23)7-8-17(12)28-10-18(25)24-20-19(21(26)27-2)16(11-29-20)13-3-5-14(22)6-4-13/h3-9,11H,10H2,1-2H3,(H,24,25)