(phenylmethyl) 2-(3-acetamido-2-oxidanylidene-4-sulfanyl-azetidin-1-yl)-2-azido-ethanoate

Systemtic Name: (phenylmethyl) 2-(3-acetamido-2-oxidanylidene-4-sulfanyl-azetidin-1-yl)-2-azido-ethanoate Openeye Name: benzyl 2-(3-acetamido-2-oxo-4-sulfanyl-azetidin-1-yl)-2-azido-acetate CAS Name: 2-(3-acetamido-2-mercapto-4-oxo-1-azetidinyl)-2-azidoacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-acetamido-2-oxo-4-sulfanylazetidin-1-yl)-2-azidoacetate Traditional Name: 2-(3-acetamido-2-keto-4-mercapto-azetidin-1-yl)-2-azido-acetic acid benzyl ester Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])S

Isomeric SMILES

CC(=O)NC1C(N(C1=O)C(C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])S

InChI

InChI=1S/C14H15N5O4S/c1-8(20)16-10-12(21)19(13(10)24)11(17-18-15)14(22)23-7-9-5-3-2-4-6-9/h2-6,10-11,13,24H,7H2,1H3,(H,16,20)