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

Systemtic Name: ethyl 5-methyl-2-[4-(2-methylphenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[4-(2-methylphenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[4-(2-methylphenoxy)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[4-(2-methylphenoxy)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[4-(2-methylphenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCCOC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCCOC3=CC=CC=C3C

InChI

InChI=1S/C25H27NO4S/c1-4-29-25(28)23-22(19-12-6-5-7-13-19)18(3)31-24(23)26-21(27)15-10-16-30-20-14-9-8-11-17(20)2/h5-9,11-14H,4,10,15-16H2,1-3H3,(H,26,27)