5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazole; 2-sulfanylbutanoic acid

Systemtic Name: 5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazole; 2-sulfanylbutanoic acid Openeye Name: 5-[4-(4-methoxyphenyl)phenyl]oxazole; 2-sulfanylbutanoic acid CAS Name: 2-mercaptobutanoic acid; 5-[4-(4-methoxyphenyl)phenyl]oxazole IUPAC Name: 5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazole; 2-sulfanylbutanoic acid Traditional Name: 2-mercaptobutyric acid; 5-[4-(4-methoxyphenyl)phenyl]oxazole Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S.COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=CO3

Isomeric SMILES

CCC(C(=O)O)S.COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=CO3

InChI

InChI=1S/C16H13NO2.C4H8O2S/c1-18-15-8-6-13(7-9-15)12-2-4-14(5-3-12)16-10-17-11-19-16;1-2-3(7)4(5)6/h2-11H,1H3;3,7H,2H2,1H3,(H,5,6)