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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chloranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-5-thiazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-thiazole-5-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O4S/c1-14-19(20(25)27-13-18(24)23-10-4-2-3-5-11-23)28-17(22-14)12-26-16-8-6-15(21)7-9-16/h6-9H,2-5,10-13H2,1H3