[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H18N4O2S/c1-15-6-8-16(9-7-15)25-22-26-18(14-29-22)13-28-21(27)11-10-17-12-23-19-4-2-3-5-20(19)24-17/h2-12,14H,13H2,1H3,(H,25,26)/b11-10+