4,4-bis(4-fluorophenyl)butyl 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: 4,4-bis(4-fluorophenyl)butyl 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: 4,4-bis(4-fluorophenyl)butyl 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid 4,4-bis(4-fluorophenyl)butyl ester IUPAC Name: 4,4-bis(4-fluorophenyl)butyl 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid 4,4-bis(4-fluorophenyl)butyl ester Formula: C22H20F2N2O3S MolecularWeight: 430.467606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)OCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)OCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20F2N2O3S/c1-14(27)25-22-26-20(13-30-22)21(28)29-12-2-3-19(15-4-8-17(23)9-5-15)16-6-10-18(24)11-7-16/h4-11,13,19H,2-3,12H2,1H3,(H,25,26,27)