[2-[(2-carboxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[C-(2-chlorophenyl)carbonimidoyl]-ethanoyl-(methylamino)azanium

Systemtic Name: [2-[(2-carboxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[C-(2-chlorophenyl)carbonimidoyl]-ethanoyl-(methylamino)azanium Openeye Name: acetyl-[2-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxo-1-phenyl-ethyl]-(2-chlorobenzenecarboximidoyl)-(methylamino)ammonium CAS Name: acetyl-[2-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxo-1-phenylethyl]-[(2-chlorophenyl)-iminomethyl]-(methylamino)ammonium IUPAC Name: acetyl-[2-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-oxo-1-phenylethyl]-(2-chlorobenzenecarboximidoyl)-(methylamino)azanium Traditional Name: acetyl-[2-[(2-carboxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino]-2-keto-1-phenyl-ethyl]-(2-chlorobenzimidoyl)-(methylamino)ammonium Formula: C26H29ClN5O5S+ MolecularWeight: 559.05696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](C(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)(C(=N)C4=CC=CC=C4Cl)NC

Isomeric SMILES

CC(=O)[N+](C(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)(C(=N)C4=CC=CC=C4Cl)NC

InChI

InChI=1S/C26H28ClN5O5S/c1-14(33)32(29-4,21(28)16-12-8-9-13-17(16)27)19(15-10-6-5-7-11-15)22(34)30-18-23(35)31-20(25(36)37)26(2,3)38-24(18)31/h5-13,18-20,24,28-29H,1-4H3,(H-,30,34,36,37)/p+1