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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H19BrClNO4S MolecularWeight: 508.81256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrClNO4S/c1-12-10-16(24)8-9-18(12)29-13(2)20(26)25-21-19(22(27)28-3)17(11-30-21)14-4-6-15(23)7-5-14/h4-11,13H,1-3H3,(H,25,26)