[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(p-tolyl)thiazole-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-thiazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(p-tolyl)thiazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O3S/c1-14-7-9-16(10-8-14)18-21-17(13-26-18)20(24)25-15(2)19(23)22-11-5-3-4-6-12-22/h7-10,13,15H,3-6,11-12H2,1-2H3