[7-[2-[(2-azanyl-3H-benzimidazol-5-yl)amino]ethanoylamino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: [7-[2-[(2-azanyl-3H-benzimidazol-5-yl)amino]ethanoylamino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [7-[[2-[(2-amino-3H-benzimidazol-5-yl)amino]acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [7-[[2-[(2-amino-3H-benzimidazol-5-yl)amino]-1-oxoethyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [7-[[2-[(2-amino-3H-benzimidazol-5-yl)amino]acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[[2-[(2-amino-3H-benzimidazol-5-yl)amino]acetyl]amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C16H15ClN6O5S MolecularWeight: 438.8455

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC4=C(C=C3)N=C(N4)N)OC(=O)O)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC4=C(C=C3)N=C(N4)N)OC(=O)O)Cl

InChI

InChI=1S/C16H15ClN6O5S/c17-7-5-29-14-11(12(25)23(14)13(7)28-16(26)27)22-10(24)4-19-6-1-2-8-9(3-6)21-15(18)20-8/h1-3,11,14,19H,4-5H2,(H,22,24)(H,26,27)(H3,18,20,21)