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

Systemtic Name: S-[(3S,4S)-1-(4-nitrophenyl)-2-oxidanylidene-3,4-diphenyl-azetidin-3-yl] N-methyl-N-(phenylmethyl)carbamothioate Openeye Name: S-[(3S,4S)-1-(4-nitrophenyl)-2-oxo-3,4-diphenyl-azetidin-3-yl] N-benzyl-N-methyl-carbamothioate CAS Name: N-methyl-N-(phenylmethyl)carbamothioic acid S-[[(3S,4S)-1-(4-nitrophenyl)-2-oxo-3,4-diphenyl-3-azetidinyl]] ester IUPAC Name: S-[(3S,4S)-1-(4-nitrophenyl)-2-oxo-3,4-diphenylazetidin-3-yl] N-benzyl-N-methylcarbamothioate Traditional Name: N-benzyl-N-methyl-thiocarbamic acid S-[(3S,4S)-2-keto-1-(4-nitrophenyl)-3,4-diphenyl-azetidin-3-yl] ester Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)SC2(C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)S[C@]2([C@@H](N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O4S/c1-31(21-22-11-5-2-6-12-22)29(35)38-30(24-15-9-4-10-16-24)27(23-13-7-3-8-14-23)32(28(30)34)25-17-19-26(20-18-25)33(36)37/h2-20,27H,21H2,1H3/t27-,30-/m0/s1