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

Systemtic Name: methyl 6-methyl-2-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-15-8-10-18-19(13-15)33-24(22(18)25(30)31-2)27-20(28)14-32-21(29)11-9-17-6-3-5-16-7-4-12-26-23(16)17/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H,27,28)/b11-9+