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

Systemtic Name: [3-chloranyl-7-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [3-chloro-7-[[2-[(2-methyl-3H-benzimidazol-5-yl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-chloro-7-[[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [3-chloro-7-[[2-[(2-methyl-3H-benzimidazol-5-yl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-chloro-8-keto-7-[[2-[(2-methyl-3H-benzimidazol-5-yl)amino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C17H16ClN5O5S MolecularWeight: 437.85744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)NCC(=O)NC3C4N(C3=O)C(=C(CS4)Cl)OC(=O)O

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)NCC(=O)NC3C4N(C3=O)C(=C(CS4)Cl)OC(=O)O

InChI

InChI=1S/C17H16ClN5O5S/c1-7-20-10-3-2-8(4-11(10)21-7)19-5-12(24)22-13-14(25)23-15(28-17(26)27)9(18)6-29-16(13)23/h2-4,13,16,19H,5-6H2,1H3,(H,20,21)(H,22,24)(H,26,27)