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

Systemtic Name: ethyl 2-[2-(4-cyclohexylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-cyclohexylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-cyclohexylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-cyclohexylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C25H31NO4S/c1-2-29-25(28)23-20-10-6-7-11-21(20)31-24(23)26-22(27)16-30-19-14-12-18(13-15-19)17-8-4-3-5-9-17/h12-15,17H,2-11,16H2,1H3,(H,26,27)