4,5-diphenyl-1,3-oxazole; 2-methyl-2-sulfanyl-propanedioic acid

Systemtic Name: 4,5-diphenyl-1,3-oxazole; 2-methyl-2-sulfanyl-propanedioic acid Openeye Name: 4,5-diphenyloxazole; 2-methyl-2-sulfanyl-propanedioic acid CAS Name: 4,5-diphenyloxazole; 2-mercapto-2-methylpropanedioic acid IUPAC Name: 4,5-diphenyl-1,3-oxazole; 2-methyl-2-sulfanylpropanedioic acid Traditional Name: 4,5-diphenyloxazole; 2-mercapto-2-methyl-malonic acid Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO.C4H6O4S/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13;1-4(9,2(5)6)3(7)8/h1-11H;9H,1H3,(H,5,6)(H,7,8)