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

Systemtic Name: S-[(3R,4S)-1-(4-nitrophenyl)-2-oxidanylidene-3-phenyl-4-propan-2-yl-azetidin-3-yl] N-methyl-N-(phenylmethyl)carbamothioate Openeye Name: S-[(2S,3R)-2-isopropyl-1-(4-nitrophenyl)-4-oxo-3-phenyl-azetidin-3-yl] N-benzyl-N-methyl-carbamothioate CAS Name: N-methyl-N-(phenylmethyl)carbamothioic acid S-[[(3R,4S)-1-(4-nitrophenyl)-2-oxo-3-phenyl-4-propan-2-yl-3-azetidinyl]] ester IUPAC Name: S-[(3R,4S)-1-(4-nitrophenyl)-2-oxo-3-phenyl-4-propan-2-ylazetidin-3-yl] N-benzyl-N-methylcarbamothioate Traditional Name: N-benzyl-N-methyl-thiocarbamic acid S-[(2S,3R)-2-isopropyl-4-keto-1-(4-nitrophenyl)-3-phenyl-azetidin-3-yl] ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)SC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC(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/C27H27N3O4S/c1-19(2)24-27(21-12-8-5-9-13-21,35-26(32)28(3)18-20-10-6-4-7-11-20)25(31)29(24)22-14-16-23(17-15-22)30(33)34/h4-17,19,24H,18H2,1-3H3/t24-,27+/m0/s1