ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-5-phenyl-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(=C1)C2=CC=CC=C2)NC(=O)CCCOC3=C(C=C(C=C3)C)Br

Isomeric SMILES

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

InChI

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