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

Systemtic Name: ethyl 2-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(E)-3-(8-quinolyl)prop-2-enoyl]oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(E)-3-quinolin-8-ylprop-2-enoyl]oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(E)-3-(8-quinolyl)acryloyl]oxypropanoylamino]-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=C1CCCC2)NC(=O)C(C)OC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-3-32-26(31)22-19-11-4-5-12-20(19)34-25(22)28-24(30)16(2)33-21(29)14-13-18-9-6-8-17-10-7-15-27-23(17)18/h6-10,13-16H,3-5,11-12H2,1-2H3,(H,28,30)/b14-13+