1-chloranyl-2-(4-methoxyphenyl)benzene; 2-(1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid

Systemtic Name: 1-chloranyl-2-(4-methoxyphenyl)benzene; 2-(1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid Openeye Name: 1-chloro-2-(4-methoxyphenyl)benzene; 2-oxazol-2-yl-2-sulfanyl-acetic acid CAS Name: 1-chloro-2-(4-methoxyphenyl)benzene; 2-mercapto-2-(2-oxazolyl)acetic acid IUPAC Name: 1-chloro-2-(4-methoxyphenyl)benzene; 2-(1,3-oxazol-2-yl)-2-sulfanylacetic acid Traditional Name: 1-chloro-2-(4-methoxyphenyl)benzene; 2-mercapto-2-oxazol-2-yl-acetic acid Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClO.C5H5NO3S/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14;7-5(8)3(10)4-6-1-2-9-4/h2-9H,1H3;1-3,10H,(H,7,8)