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

Systemtic Name: ethyl 4-methyl-2-[2-(4-phenylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(4-phenylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(4-phenylphenoxy)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(4-phenylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-(4-phenylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO4S/c1-3-30-26(29)24-23-17(2)8-7-11-21(23)32-25(24)27-22(28)16-31-20-14-12-19(13-15-20)18-9-5-4-6-10-18/h4-6,9-10,12-15,17H,3,7-8,11,16H2,1-2H3,(H,27,28)