2-methyl-6-[3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid

Systemtic Name: 2-methyl-6-[3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid Openeye Name: 2-methyl-6-[3-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methoxy]propoxymethyl]benzoic acid CAS Name: 2-methyl-6-[3-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methoxy]propoxymethyl]benzoic acid IUPAC Name: 2-methyl-6-[3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid Traditional Name: 2-methyl-6-[3-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methoxy]propoxymethyl]benzoic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCOCC2=C(OC(=N2)C3=CC=CS3)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCOCC2=C(OC(=N2)C3=CC=CS3)C)C(=O)O

InChI

InChI=1S/C21H23NO5S/c1-14-6-3-7-16(19(14)21(23)24)12-25-9-5-10-26-13-17-15(2)27-20(22-17)18-8-4-11-28-18/h3-4,6-8,11H,5,9-10,12-13H2,1-2H3,(H,23,24)