S-[(2S,3R)-2-methyl-1-(4-nitrophenyl)-4-oxidanylidene-3-phenyl-azetidin-3-yl] N-methyl-N-(phenylmethyl)carbamothioate

Systemtic Name: S-[(2S,3R)-2-methyl-1-(4-nitrophenyl)-4-oxidanylidene-3-phenyl-azetidin-3-yl] N-methyl-N-(phenylmethyl)carbamothioate Openeye Name: S-[(2S,3R)-2-methyl-1-(4-nitrophenyl)-4-oxo-3-phenyl-azetidin-3-yl] N-benzyl-N-methyl-carbamothioate CAS Name: N-methyl-N-(phenylmethyl)carbamothioic acid S-[[(2S,3R)-2-methyl-1-(4-nitrophenyl)-4-oxo-3-phenyl-3-azetidinyl]] ester IUPAC Name: S-[(2S,3R)-2-methyl-1-(4-nitrophenyl)-4-oxo-3-phenylazetidin-3-yl] N-benzyl-N-methylcarbamothioate Traditional Name: N-benzyl-N-methyl-thiocarbamic acid S-[(3R,4S)-2-keto-4-methyl-1-(4-nitrophenyl)-3-phenyl-azetidin-3-yl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)SC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1[C@@](C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)SC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-18-25(20-11-7-4-8-12-20,33-24(30)26(2)17-19-9-5-3-6-10-19)23(29)27(18)21-13-15-22(16-14-21)28(31)32/h3-16,18H,17H2,1-2H3/t18-,25-/m0/s1