methoxybenzene; 4-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid

Systemtic Name: methoxybenzene; 4-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: anisole; 4-phenyloxazole; 2-sulfanylpropanoic acid CAS Name: 2-mercaptopropanoic acid; methoxybenzene; 4-phenyloxazole IUPAC Name: anisole; 4-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: anisole; 2-mercaptopropionic acid; 4-phenyloxazole Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S.COC1=CC=CC=C1.C1=CC=C(C=C1)C2=COC=N2

Isomeric SMILES

CC(C(=O)O)S.COC1=CC=CC=C1.C1=CC=C(C=C1)C2=COC=N2

InChI

InChI=1S/C9H7NO.C7H8O.C3H6O2S/c1-2-4-8(5-3-1)9-6-11-7-10-9;1-8-7-5-3-2-4-6-7;1-2(6)3(4)5/h1-7H;2-6H,1H3;2,6H,1H3,(H,4,5)