ethyl 4,5-dimethyl-2-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-isopropylphenyl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(4-propan-2-ylphenyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-propan-2-ylphenyl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(3-p-cumenylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H27NO3S/c1-6-25-21(24)19-14(4)15(5)26-20(19)22-18(23)12-9-16-7-10-17(11-8-16)13(2)3/h7-8,10-11,13H,6,9,12H2,1-5H3,(H,22,23)