(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CN3CCCCCC3=O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C17H20N2O4S/c1-12-13(18-17(23-12)14-6-5-9-24-14)11-22-16(21)10-19-8-4-2-3-7-15(19)20/h5-6,9H,2-4,7-8,10-11H2,1H3