1,3-di(nonanoyloxy)propan-2-yl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1,3-di(nonanoyloxy)propan-2-yl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [2-nonanoyloxy-1-(nonanoyloxymethyl)ethyl] 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1,3-bis(1-oxononoxy)propan-2-yl ester IUPAC Name: 1,3-di(nonanoyloxy)propan-2-yl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [2-pelargonyloxy-1-(pelargonyloxymethyl)ethyl] ester Formula: C34H51N5O9S2 MolecularWeight: 737.92684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N

Isomeric SMILES

CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)C1=CCSC2N1C(=O)C2NC(=O)/C(=N/OC)/C3=CSC(=N3)N

InChI

InChI=1S/C34H51N5O9S2/c1-4-6-8-10-12-14-16-26(40)46-20-23(21-47-27(41)17-15-13-11-9-7-5-2)48-33(44)25-18-19-49-32-29(31(43)39(25)32)37-30(42)28(38-45-3)24-22-50-34(35)36-24/h18,22-23,29,32H,4-17,19-21H2,1-3H3,(H2,35,36)(H,37,42)/b38-28+