2-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]ethanoic acid Openeye Name: 2-[4-[2-[2-[6-(dimethylamino)-3-pyridyl]-5-methyl-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]acetic acid CAS Name: 2-[4-[2-[2-[6-(dimethylamino)-3-pyridinyl]-5-methyl-4-oxazolyl]ethoxy]but-2-ynylthio]acetic acid IUPAC Name: 2-[4-[2-[2-[6-(dimethylamino)pyridin-3-yl]-5-methyl-1,3-oxazol-4-yl]ethoxy]but-2-ynylsulfanyl]acetic acid Traditional Name: 2-[4-[2-[2-[6-(dimethylamino)-3-pyridyl]-5-methyl-oxazol-4-yl]ethoxy]but-2-ynylthio]acetic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CN=C(C=C2)N(C)C)CCOCC#CCSCC(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CN=C(C=C2)N(C)C)CCOCC#CCSCC(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-14-16(8-10-25-9-4-5-11-27-13-18(23)24)21-19(26-14)15-6-7-17(20-12-15)22(2)3/h6-7,12H,8-11,13H2,1-3H3,(H,23,24)