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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-5-thiazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-14-19(29-18(23-14)13-27-17-9-7-16(22)8-10-17)21(26)28-15(2)20(25)24-11-5-3-4-6-12-24/h7-10,15H,3-6,11-13H2,1-2H3