2-[4-phenylsulfanyl-3-(phenylsulfanylmethyl)-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-phenylsulfanyl-3-(phenylsulfanylmethyl)-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[4-phenylsulfanyl-3-(phenylsulfanylmethyl)isoxazol-5-yl]acetic acid CAS Name: 2-[4-(phenylthio)-3-[(phenylthio)methyl]-5-isoxazolyl]acetic acid IUPAC Name: 2-[4-phenylsulfanyl-3-(phenylsulfanylmethyl)-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[4-(phenylthio)-3-[(phenylthio)methyl]isoxazol-5-yl]acetic acid Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=NOC(=C2SC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=NOC(=C2SC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C18H15NO3S2/c20-17(21)11-16-18(24-14-9-5-2-6-10-14)15(19-22-16)12-23-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,21)