2,2-dimethylbutanoyloxymethyl 7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylbutanoyloxymethyl 7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylbutanoyloxymethyl 7-[(4-bromo-3-oxo-butanoyl)amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(4-bromo-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-oxobutoxy)methyl ester IUPAC Name: 2,2-dimethylbutanoyloxymethyl 7-[(4-bromo-3-oxobutanoyl)amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(4-bromo-3-keto-butanoyl)amino]-8-keto-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2-dimethylbutanoyloxymethyl ester Formula: C20H27BrN2O8S MolecularWeight: 535.40598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC(=O)CBr)COC

Isomeric SMILES

CCC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC(=O)CBr)COC

InChI

InChI=1S/C20H27BrN2O8S/c1-5-20(2,3)19(28)31-10-30-18(27)15-11(8-29-4)9-32-17-14(16(26)23(15)17)22-13(25)6-12(24)7-21/h14,17H,5-10H2,1-4H3,(H,22,25)