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

Systemtic Name: ethyl 2-[2-(3,5-dimethylphenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3,5-dimethylphenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,5-dimethylphenoxy)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dimethylphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-(3,5-dimethylphenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)OC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)OC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H27NO4S/c1-7-17(26-16-10-12(3)9-13(4)11-16)19(23)22-20-18(21(24)25-8-2)14(5)15(6)27-20/h9-11,17H,7-8H2,1-6H3,(H,22,23)