1-(azepan-1-yl)-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methylthio]ethanone Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O3S/c1-3-25-18-10-8-17(9-11-18)21-22-19(16(2)26-21)14-27-15-20(24)23-12-6-4-5-7-13-23/h8-11H,3-7,12-15H2,1-2H3