[2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-(N-acetyl-2,3-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(C2=NC(=CS2)COC(=O)C=CC3=CC=CC4=C3N=CC=C4)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C2=NC(=CS2)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4)C(=O)C)C

InChI

InChI=1S/C26H23N3O3S/c1-17-7-4-11-23(18(17)2)29(19(3)30)26-28-22(16-33-26)15-32-24(31)13-12-21-9-5-8-20-10-6-14-27-25(20)21/h4-14,16H,15H2,1-3H3/b13-12+