2-[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfonyl]ethanoic acid

Systemtic Name: 2-[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfonyl]ethanoic acid Openeye Name: 2-[4-[2-[5-methyl-2-(p-tolyl)oxazol-4-yl]ethoxy]but-2-ynylsulfonyl]acetic acid CAS Name: 2-[4-[2-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]ethoxy]but-2-ynylsulfonyl]acetic acid IUPAC Name: 2-[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfonyl]acetic acid Traditional Name: 2-[4-[2-[5-methyl-2-(p-tolyl)oxazol-4-yl]ethoxy]but-2-ynylsulfonyl]acetic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCOCC#CCS(=O)(=O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCOCC#CCS(=O)(=O)CC(=O)O

InChI

InChI=1S/C19H21NO6S/c1-14-5-7-16(8-6-14)19-20-17(15(2)26-19)9-11-25-10-3-4-12-27(23,24)13-18(21)22/h5-8H,9-13H2,1-2H3,(H,21,22)