[7-[2-[(2-azanyl-1,3-benzoxazol-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-1,3-benzoxazol-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-1,3-benzoxazol-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-1,3-benzoxazol-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-1,3-benzoxazol-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-1,3-benzoxazol-5-yl)amino]acetyl]amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C16H14ClN5O6S MolecularWeight: 439.83026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O6S/c17-7-5-29-14-11(12(24)22(14)13(7)28-16(25)26)21-10(23)4-19-6-1-2-9-8(3-6)20-15(18)27-9/h1-3,11,14,19H,4-5H2,(H2,18,20)(H,21,23)(H,25,26)