ethyl 2-[2-(3,5-dimethylphenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)OC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)OC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H27NO4S/c1-5-21(30-19-13-16(3)12-17(4)14-19)23(27)26-24-22(25(28)29-6-2)20(15-31-24)18-10-8-7-9-11-18/h7-15,21H,5-6H2,1-4H3,(H,26,27)