methyl 3-bromanyl-7-[ethoxycarbonyl(methanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: methyl 3-bromanyl-7-[ethoxycarbonyl(methanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: methyl 3-bromo-7-[ethoxycarbonyl(formyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-bromo-7-[ethoxycarbonyl(formyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester IUPAC Name: methyl 3-bromo-7-[ethoxycarbonyl(formyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-bromo-7-[carbethoxy(formyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester Formula: C13H17BrN2O6S MolecularWeight: 409.25288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C=O)C1C2N(C1=O)C(C(CS2)(C)Br)C(=O)OC

Isomeric SMILES

CCOC(=O)N(C=O)C1C2N(C1=O)C(C(CS2)(C)Br)C(=O)OC

InChI

InChI=1S/C13H17BrN2O6S/c1-4-22-12(20)15(6-17)7-9(18)16-8(11(19)21-3)13(2,14)5-23-10(7)16/h6-8,10H,4-5H2,1-3H3