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

Systemtic Name: ethyl 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[4-(3-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(=C3)C

Isomeric SMILES

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

InChI

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