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

Systemtic Name: 4-(4-methylphenyl)-5-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: 5-phenyl-4-(p-tolyl)oxazole; 2-sulfanylpropanoic acid CAS Name: 2-mercaptopropanoic acid; 4-(4-methylphenyl)-5-phenyloxazole IUPAC Name: 4-(4-methylphenyl)-5-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: 2-mercaptopropionic acid; 5-phenyl-4-(p-tolyl)oxazole Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO.C3H6O2S/c1-12-7-9-13(10-8-12)15-16(18-11-17-15)14-5-3-2-4-6-14;1-2(6)3(4)5/h2-11H,1H3;2,6H,1H3,(H,4,5)