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

Systemtic Name: [2-[(3,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [2-(N-acetyl-3,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=NC(=CS2)COC(=O)C=CC3=CC=CS3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=NC(=CS2)COC(=O)/C=C/C3=CC=CS3)C(=O)C)C

InChI

InChI=1S/C21H20N2O3S2/c1-14-6-7-18(11-15(14)2)23(16(3)24)21-22-17(13-28-21)12-26-20(25)9-8-19-5-4-10-27-19/h4-11,13H,12H2,1-3H3/b9-8+