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

Systemtic Name: ethyl 6-methyl-2-[2-[(E)-3-pyridin-4-ylprop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-[(E)-3-(4-pyridyl)prop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[(E)-1-oxo-3-pyridin-4-ylprop-2-enoxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-[(E)-3-pyridin-4-ylprop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-[(E)-3-(4-pyridyl)acryloyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C=CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C22H24N2O5S/c1-3-28-22(27)20-16-6-4-14(2)12-17(16)30-21(20)24-18(25)13-29-19(26)7-5-15-8-10-23-11-9-15/h5,7-11,14H,3-4,6,12-13H2,1-2H3,(H,24,25)/b7-5+