ethyl 6-tert-butyl-2-[2-(4-ethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[2-(4-ethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C25H33NO4S/c1-6-16-8-11-18(12-9-16)30-15-21(27)26-23-22(24(28)29-7-2)19-13-10-17(25(3,4)5)14-20(19)31-23/h8-9,11-12,17H,6-7,10,13-15H2,1-5H3,(H,26,27)