S-phenyl 4-(3-nitrophenyl)-4-[(2-oxidanylideneazetidin-1-yl)carbamoyloxy]butanethioate

Systemtic Name: S-phenyl 4-(3-nitrophenyl)-4-[(2-oxidanylideneazetidin-1-yl)carbamoyloxy]butanethioate Openeye Name: S-phenyl 4-(3-nitrophenyl)-4-[(2-oxoazetidin-1-yl)carbamoyloxy]butanethioate CAS Name: 4-(3-nitrophenyl)-4-[oxo-[(2-oxo-1-azetidinyl)amino]methoxy]butanethioic acid S-phenyl ester IUPAC Name: S-phenyl 4-(3-nitrophenyl)-4-[(2-oxoazetidin-1-yl)carbamoyloxy]butanethioate Traditional Name: 4-[(2-ketoazetidin-1-yl)carbamoyloxy]-4-(3-nitrophenyl)butanethioic acid S-phenyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1=O)NC(=O)OC(CCC(=O)SC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C1=O)NC(=O)OC(CCC(=O)SC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c24-18-11-12-22(18)21-20(26)29-17(14-5-4-6-15(13-14)23(27)28)9-10-19(25)30-16-7-2-1-3-8-16/h1-8,13,17H,9-12H2,(H,21,26)