[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: [7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C21H19N5O8S2 MolecularWeight: 533.53426

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CC4=CC(=C(C=C4)O)O)OC(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)/C=C/C4=CC(=C(C=C4)O)O)OC(=O)O

InChI

InChI=1S/C21H19N5O8S2/c1-33-25-14(11-8-36-20(22)23-11)16(29)24-15-17(30)26-18(34-21(31)32)10(7-35-19(15)26)4-2-9-3-5-12(27)13(28)6-9/h2-6,8,15,19,27-28H,7H2,1H3,(H2,22,23)(H,24,29)(H,31,32)/b4-2+,25-14+