ethyl 4-(4-bromophenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H24BrNO4S MolecularWeight: 502.42066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C24H24BrNO4S/c1-3-29-24(28)22-20(17-9-11-18(25)12-10-17)15-31-23(22)26-21(27)8-5-13-30-19-7-4-6-16(2)14-19/h4,6-7,9-12,14-15H,3,5,8,13H2,1-2H3,(H,26,27)