[nitro(phenyl)methyl] 2-(azetidin-3-ylcarbamoyl)-1-(1,3-thiazol-2-yl)azetidine-2-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 2-(azetidin-3-ylcarbamoyl)-1-(1,3-thiazol-2-yl)azetidine-2-carboxylate Openeye Name: [nitro(phenyl)methyl] 2-(azetidin-3-ylcarbamoyl)-1-thiazol-2-yl-azetidine-2-carboxylate CAS Name: 2-[(3-azetidinylamino)-oxomethyl]-1-(2-thiazolyl)-2-azetidinecarboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 2-(azetidin-3-ylcarbamoyl)-1-(1,3-thiazol-2-yl)azetidine-2-carboxylate Traditional Name: 2-(azetidin-3-ylcarbamoyl)-1-thiazol-2-yl-azetidine-2-carboxylic acid [nitro(phenyl)methyl] ester Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1(C(=O)NC2CNC2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CS4

Isomeric SMILES

C1CN(C1(C(=O)NC2CNC2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CS4

InChI

InChI=1S/C18H19N5O5S/c24-15(21-13-10-19-11-13)18(6-8-22(18)17-20-7-9-29-17)16(25)28-14(23(26)27)12-4-2-1-3-5-12/h1-5,7,9,13-14,19H,6,8,10-11H2,(H,21,24)