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

Systemtic Name: 2-[[4,5-bis(4-dimethylaminophenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4,5-bis(4-dimethylaminophenyl)oxazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4,5-bis(4-dimethylaminophenyl)-2-oxazolyl]thio]acetic acid IUPAC Name: 2-[[4,5-bis(4-dimethylaminophenyl)-1,3-oxazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4,5-bis(4-dimethylaminophenyl)oxazol-2-yl]thio]acetic acid Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H23N3O3S/c1-23(2)16-9-5-14(6-10-16)19-20(27-21(22-19)28-13-18(25)26)15-7-11-17(12-8-15)24(3)4/h5-12H,13H2,1-4H3,(H,25,26)