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

Systemtic Name: 5-(4-methylphenyl)-4-phenyl-1,3-oxazole; 2-sulfanylbutanoic acid Openeye Name: 4-phenyl-5-(p-tolyl)oxazole; 2-sulfanylbutanoic acid CAS Name: 2-mercaptobutanoic acid; 5-(4-methylphenyl)-4-phenyloxazole IUPAC Name: 5-(4-methylphenyl)-4-phenyl-1,3-oxazole; 2-sulfanylbutanoic acid Traditional Name: 2-mercaptobutyric acid; 4-phenyl-5-(p-tolyl)oxazole Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S.CC1=CC=C(C=C1)C2=C(N=CO2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)S.CC1=CC=C(C=C1)C2=C(N=CO2)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO.C4H8O2S/c1-12-7-9-14(10-8-12)16-15(17-11-18-16)13-5-3-2-4-6-13;1-2-3(7)4(5)6/h2-11H,1H3;3,7H,2H2,1H3,(H,5,6)