[1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-15(22(26)24-18-10-3-4-11-19(18)28-2)27-20(25)13-12-17-8-5-7-16-9-6-14-23-21(16)17/h3-15H,1-2H3,(H,24,26)/b13-12+