S-[4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-2-yl] 4-nitrobenzenecarbothioate Openeye Name: S-[4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-2-azetidinyl] ester IUPAC Name: S-[4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[4-keto-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2C(NC2=O)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C(NC2=O)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c22-14(10-27-13-4-2-1-3-5-13)19-15-16(23)20-17(15)28-18(24)11-6-8-12(9-7-11)21(25)26/h1-9,15,17H,10H2,(H,19,22)(H,20,23)