ethyl 1-ethyl-4-oxidanylidene-6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-oxidanylidene-6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-4-oxo-6-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]quinoline-3-carboxylate CAS Name: 1-ethyl-4-oxo-6-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-oxo-6-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]quinoline-3-carboxylate Traditional Name: 1-ethyl-4-keto-6-[[(E)-3-(2-thienyl)acryloyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)NC(=O)C=CC3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)NC(=O)/C=C/C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C21H20N2O4S/c1-3-23-13-17(21(26)27-4-2)20(25)16-12-14(7-9-18(16)23)22-19(24)10-8-15-6-5-11-28-15/h5-13H,3-4H2,1-2H3,(H,22,24)/b10-8+