[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-7-methanethioyl-8-oxidanylidene-3-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-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]-7-methanethioyl-8-oxidanylidene-3-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-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-[(2Z)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-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-[(2Z)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-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-[(2Z)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-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-[(2Z)-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C22H17N7O9S3 MolecularWeight: 619.60688

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NNC(=C5C=CC(=O)C(=C5)O)O4)OC(=O)O)C=S

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NN/C(=C/5\C=CC(=O)C(=C5)O)/O4)OC(=O)O)C=S

InChI

InChI=1S/C22H17N7O9S3/c1-36-28-13(10-6-41-20(23)24-10)14(32)25-22(7-39)18(33)29-17(38-21(34)35)9(5-40-19(22)29)16-27-26-15(37-16)8-2-3-11(30)12(31)4-8/h2-4,6-7,19,26,31H,5H2,1H3,(H2,23,24)(H,25,32)(H,34,35)/b15-8-,28-13+