1-chloranyl-2-(4-methoxyphenyl)benzene; 1,3-oxazole; 2-sulfanylpropanoic acid

Systemtic Name: 1-chloranyl-2-(4-methoxyphenyl)benzene; 1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: 1-chloro-2-(4-methoxyphenyl)benzene; oxazole; 2-sulfanylpropanoic acid CAS Name: 1-chloro-2-(4-methoxyphenyl)benzene; 2-mercaptopropanoic acid; oxazole IUPAC Name: 1-chloro-2-(4-methoxyphenyl)benzene; 1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: 1-chloro-2-(4-methoxyphenyl)benzene; 2-mercaptopropionic acid; oxazole Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S.COC1=CC=C(C=C1)C2=CC=CC=C2Cl.C1=COC=N1

Isomeric SMILES

CC(C(=O)O)S.COC1=CC=C(C=C1)C2=CC=CC=C2Cl.C1=COC=N1

InChI

InChI=1S/C13H11ClO.C3H3NO.C3H6O2S/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14;1-2-5-3-4-1;1-2(6)3(4)5/h2-9H,1H3;1-3H;2,6H,1H3,(H,4,5)