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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methylsulfinyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methylsulfinyl]ethanone Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O3S/c1-15-8-7-9-17(12-15)20-21-18(16(2)25-20)13-26(24)14-19(23)22-10-5-3-4-6-11-22/h7-9,12H,3-6,10-11,13-14H2,1-2H3