methyl 2-[2-[(E)-3-phenylprop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(E)-3-phenylprop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(E)-1-oxo-3-phenylprop-2-enoxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(E)-3-phenylacryloyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-26-21(25)19-15-9-5-6-10-16(15)28-20(19)22-17(23)13-27-18(24)12-11-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,22,23)/b12-11+