2-[[4,5-bis(4-dimethylaminophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4,5-bis(4-dimethylaminophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[4,5-bis(4-dimethylaminophenyl)oxazol-2-yl]sulfanylpropanoic acid CAS Name: 2-[[4,5-bis(4-dimethylaminophenyl)-2-oxazolyl]thio]propanoic acid IUPAC Name: 2-[[4,5-bis(4-dimethylaminophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4,5-bis(4-dimethylaminophenyl)oxazol-2-yl]thio]propionic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H25N3O3S/c1-14(21(26)27)29-22-23-19(15-6-10-17(11-7-15)24(2)3)20(28-22)16-8-12-18(13-9-16)25(4)5/h6-14H,1-5H3,(H,26,27)