ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-tert-butylphenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCC2=CC=C(C=C2)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCC2=CC=C(C=C2)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C22H29NO3S/c1-6-17-14-18(21(25)26-7-2)20(27-17)23-19(24)13-10-15-8-11-16(12-9-15)22(3,4)5/h8-9,11-12,14H,6-7,10,13H2,1-5H3,(H,23,24)