(3S,4R)-4-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)sulfanylamino]oxetan-2-one

Systemtic Name: (3S,4R)-4-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)sulfanylamino]oxetan-2-one Openeye Name: (3S,4R)-4-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)sulfanylamino]oxetan-2-one CAS Name: N-[(2R,3S)-2-[(4-methoxyphenyl)methyl]-4-oxo-3-oxetanyl]-2-nitrobenzenesulfenamide IUPAC Name: (3S,4R)-4-[(4-methoxyphenyl)methyl]-3-[(2-nitrophenyl)sulfanylamino]oxetan-2-one Traditional Name: (3S,4R)-3-[[(2-nitrophenyl)thio]amino]-4-p-anisyl-oxetan-2-one Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(C(=O)O2)NSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H]2[C@@H](C(=O)O2)NSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-23-12-8-6-11(7-9-12)10-14-16(17(20)24-14)18-25-15-5-3-2-4-13(15)19(21)22/h2-9,14,16,18H,10H2,1H3/t14-,16+/m1/s1