(4-nitrophenyl)methyl 2-(3-ethanoylsulfanylazetidin-1-yl)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-ethanoylsulfanylazetidin-1-yl)-1,3-thiazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3-acetylsulfanylazetidin-1-yl)thiazole-4-carboxylate CAS Name: 2-[3-(acetylthio)-1-azetidinyl]-4-thiazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-acetylsulfanylazetidin-1-yl)-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(acetylthio)azetidin-1-yl]thiazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S2/c1-10(20)26-13-6-18(7-13)16-17-14(9-25-16)15(21)24-8-11-2-4-12(5-3-11)19(22)23/h2-5,9,13H,6-8H2,1H3