[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC(=O)NC(=O)NCC3=CC=CS3)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC(=O)NC(=O)NCC3=CC=CS3)N=CC=C2

InChI

InChI=1S/C20H17N3O4S/c24-17(23-20(26)22-12-16-7-3-11-28-16)13-27-18(25)9-8-15-5-1-4-14-6-2-10-21-19(14)15/h1-11H,12-13H2,(H2,22,23,24,26)/b9-8+