(2-oxidanylideneazepan-3-yl) 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (2-oxoazepan-3-yl) 2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)OC3CCCCNC3=O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)OC3CCCCNC3=O

InChI

InChI=1S/C17H17ClN2O3S/c1-10-14(17(22)23-13-4-2-3-9-19-15(13)21)24-16(20-10)11-5-7-12(18)8-6-11/h5-8,13H,2-4,9H2,1H3,(H,19,21)