[7-[2-[(2-azanyl-3H-benzimidazol-5-yl)amino]ethanoylamino]-3-methyl-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-methyl-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-methyl-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-methyl-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-methyl-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]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C17H18N6O5S MolecularWeight: 418.42702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CNC3=CC4=C(C=C3)N=C(N4)N)SC1)OC(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CNC3=CC4=C(C=C3)N=C(N4)N)SC1)OC(=O)O

InChI

InChI=1S/C17H18N6O5S/c1-7-6-29-15-12(13(25)23(15)14(7)28-17(26)27)22-11(24)5-19-8-2-3-9-10(4-8)21-16(18)20-9/h2-4,12,15,19H,5-6H2,1H3,(H,22,24)(H,26,27)(H3,18,20,21)