8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-thiophen-2-yl-oct-4-ynoic acid

Systemtic Name: 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-thiophen-2-yl-oct-4-ynoic acid Openeye Name: 8-(5-methyl-2-phenyl-oxazol-4-yl)-2-(2-thienyl)oct-4-ynoic acid CAS Name: 8-(5-methyl-2-phenyl-4-oxazolyl)-2-thiophen-2-yl-4-octynoic acid IUPAC Name: 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-thiophen-2-yloct-4-ynoic acid Traditional Name: 8-(5-methyl-2-phenyl-oxazol-4-yl)-2-(2-thienyl)oct-4-ynoic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCCC#CCC(C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCCC#CCC(C3=CC=CS3)C(=O)O

InChI

InChI=1S/C22H21NO3S/c1-16-19(23-21(26-16)17-10-5-4-6-11-17)13-8-3-2-7-12-18(22(24)25)20-14-9-15-27-20/h4-6,9-11,14-15,18H,3,8,12-13H2,1H3,(H,24,25)