2-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydroisoxazol-5-yl]acetic acid CAS Name: 2-[(4S,5R)-3-phenyl-4-(phenylthio)-4,5-dihydroisoxazol-5-yl]acetic acid IUPAC Name: 2-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[(4S,5R)-3-phenyl-4-(phenylthio)-2-isoxazolin-5-yl]acetic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(C2SC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NO[C@@H]([C@H]2SC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C17H15NO3S/c19-15(20)11-14-17(22-13-9-5-2-6-10-13)16(18-21-14)12-7-3-1-4-8-12/h1-10,14,17H,11H2,(H,19,20)/t14-,17-/m1/s1