[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H21ClN2O3S/c1-13-17(26-18(21-13)14-7-6-8-15(20)11-14)19(24)25-12-16(23)22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10,12H2,1H3