ethyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-(3,3-dimethylbutanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CC(C)(C)C

InChI

InChI=1S/C21H27NO3S/c1-6-14-8-10-15(11-9-14)16-13-26-19(18(16)20(24)25-7-2)22-17(23)12-21(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,23)