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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC(=O)NC(=O)NCCC3=CC=CS3)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3)N=CC=C2

InChI

InChI=1S/C21H19N3O4S/c25-18(24-21(27)23-12-10-17-7-3-13-29-17)14-28-19(26)9-8-16-5-1-4-15-6-2-11-22-20(15)16/h1-9,11,13H,10,12,14H2,(H2,23,24,25,27)/b9-8+