(phenylmethyl) (4S)-2-(2-phenylsulfanylpyridin-3-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

Systemtic Name: (phenylmethyl) (4S)-2-(2-phenylsulfanylpyridin-3-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate Openeye Name: benzyl (4S)-2-(2-phenylsulfanyl-3-pyridyl)-4,5-dihydrooxazole-4-carboxylate CAS Name: (4S)-2-[2-(phenylthio)-3-pyridinyl]-4,5-dihydrooxazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2-(2-phenylsulfanylpyridin-3-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate Traditional Name: (4S)-2-[2-(phenylthio)-3-pyridyl]-2-oxazoline-4-carboxylic acid benzyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(O1)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@H](N=C(O1)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c25-22(27-14-16-8-3-1-4-9-16)19-15-26-20(24-19)18-12-7-13-23-21(18)28-17-10-5-2-6-11-17/h1-13,19H,14-15H2/t19-/m0/s1