2,2-dimethylpropanoyloxymethyl 7-[[(2E)-2-methoxyimino-4-methylsulfonyloxy-3-oxidanylidene-butanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 7-[[(2E)-2-methoxyimino-4-methylsulfonyloxy-3-oxidanylidene-butanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-[[(2E)-2-methoxyimino-4-methylsulfonyloxy-3-oxo-butanoyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-methoxyimino-4-methylsulfonyloxy-1,3-dioxobutyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 7-[[(2E)-2-methoxyimino-4-methylsulfonyloxy-3-oxobutanoyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[(2E)-3-keto-2-methyloximino-4-methylsulfonyloxy-butanoyl]amino]-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C21H29N3O12S2 MolecularWeight: 579.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C(=O)COS(=O)(=O)C)COC

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)/C(=N/OC)/C(=O)COS(=O)(=O)C)COC

InChI

InChI=1S/C21H29N3O12S2/c1-21(2,3)20(29)35-10-34-19(28)15-11(7-32-4)9-37-18-14(17(27)24(15)18)22-16(26)13(23-33-5)12(25)8-36-38(6,30)31/h14,18H,7-10H2,1-6H3,(H,22,26)/b23-13+