ethyl 6-methyl-2-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-[(E)-3-(8-quinolyl)prop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[(E)-1-oxo-3-(8-quinolinyl)prop-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-quinolin-8-ylprop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-[(E)-3-(8-quinolyl)acryloyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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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=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-3-32-26(31)23-19-11-9-16(2)14-20(19)34-25(23)28-21(29)15-33-22(30)12-10-18-7-4-6-17-8-5-13-27-24(17)18/h4-8,10,12-13,16H,3,9,11,14-15H2,1-2H3,(H,28,29)/b12-10+