2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylic acid

Systemtic Name: 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylic acid Openeye Name: 2-methyl-5-[4-[5-methyl-2-(p-tolyl)oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylic acid CAS Name: 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]butyl]-1,3-dithiane-2-carboxylic acid IUPAC Name: 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylic acid Traditional Name: 2-methyl-5-[4-[5-methyl-2-(p-tolyl)oxazol-4-yl]butyl]-1,3-dithiane-2-carboxylic acid Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCC3CSC(SC3)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCC3CSC(SC3)(C)C(=O)O

InChI

InChI=1S/C21H27NO3S2/c1-14-8-10-17(11-9-14)19-22-18(15(2)25-19)7-5-4-6-16-12-26-21(3,20(23)24)27-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)