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

Systemtic Name: 2-[(4R,5S)-2-phenyl-4-(sulfanylmethyl)-4,5-dihydro-1,3-oxazol-5-yl]ethanoic acid Openeye Name: 2-[(4R,5S)-2-phenyl-4-(sulfanylmethyl)-4,5-dihydrooxazol-5-yl]acetic acid CAS Name: 2-[(4R,5S)-4-(mercaptomethyl)-2-phenyl-4,5-dihydrooxazol-5-yl]acetic acid IUPAC Name: 2-[(4R,5S)-2-phenyl-4-(sulfanylmethyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid Traditional Name: 2-[(4R,5S)-4-(mercaptomethyl)-2-phenyl-2-oxazolin-5-yl]acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(O2)CC(=O)O)CS

Isomeric SMILES

C1=CC=C(C=C1)C2=N[C@H]([C@@H](O2)CC(=O)O)CS

InChI

InChI=1S/C12H13NO3S/c14-11(15)6-10-9(7-17)13-12(16-10)8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2,(H,14,15)/t9-,10-/m0/s1