propan-2-yl 2-methyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]quinoline-6-carboxylate

Systemtic Name: propan-2-yl 2-methyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]quinoline-6-carboxylate Openeye Name: isopropyl 2-methyl-4-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]quinoline-6-carboxylate CAS Name: 2-methyl-4-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-6-quinolinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]quinoline-6-carboxylate Traditional Name: 2-methyl-4-[[(E)-3-(2-thienyl)acryloyl]amino]quinoline-6-carboxylic acid isopropyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C)C(=C1)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C)C(=C1)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H20N2O3S/c1-13(2)26-21(25)15-6-8-18-17(12-15)19(11-14(3)22-18)23-20(24)9-7-16-5-4-10-27-16/h4-13H,1-3H3,(H,22,23,24)/b9-7+