[(4R,5R)-2-methylsulfanyl-4-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]-phenyl-methanone

Systemtic Name: [(4R,5R)-2-methylsulfanyl-4-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]-phenyl-methanone Openeye Name: [(4R,5R)-2-methylsulfanyl-4-(4-nitrophenyl)-4,5-dihydrooxazol-5-yl]-phenyl-methanone CAS Name: [(4R,5R)-2-(methylthio)-4-(4-nitrophenyl)-4,5-dihydrooxazol-5-yl]-phenylmethanone IUPAC Name: [(4R,5R)-2-methylsulfanyl-4-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone Traditional Name: [(4R,5R)-2-(methylthio)-4-(4-nitrophenyl)-2-oxazolin-5-yl]-phenyl-methanone Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(O1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=N[C@@H]([C@@H](O1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-24-17-18-14(11-7-9-13(10-8-11)19(21)22)16(23-17)15(20)12-5-3-2-4-6-12/h2-10,14,16H,1H3/t14-,16-/m1/s1