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

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: (2-oxoazepan-3-yl) 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-11-14(23-16(19-11)12-7-3-2-4-8-12)17(21)22-13-9-5-6-10-18-15(13)20/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,20)