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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(4-methylphenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(4-methylphenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO4S/c1-13-3-9-16(10-4-13)27-11-18(24)23-20-19(21(25)26-2)17(12-28-20)14-5-7-15(22)8-6-14/h3-10,12H,11H2,1-2H3,(H,23,24)