4,5-bis(4-methylphenyl)-1,3-oxazole; 2-sulfanylpropanoic acid

Systemtic Name: 4,5-bis(4-methylphenyl)-1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: 4,5-bis(p-tolyl)oxazole; 2-sulfanylpropanoic acid CAS Name: 4,5-bis(4-methylphenyl)oxazole; 2-mercaptopropanoic acid IUPAC Name: 4,5-bis(4-methylphenyl)-1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: 4,5-bis(p-tolyl)oxazole; 2-mercaptopropionic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC=N2)C3=CC=C(C=C3)C.CC(C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC=N2)C3=CC=C(C=C3)C.CC(C(=O)O)S

InChI

InChI=1S/C17H15NO.C3H6O2S/c1-12-3-7-14(8-4-12)16-17(19-11-18-16)15-9-5-13(2)6-10-15;1-2(6)3(4)5/h3-11H,1-2H3;2,6H,1H3,(H,4,5)