methyl 7-azanyl-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 7-azanyl-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C8H9ClN2O3S MolecularWeight: 248.68666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2N)Cl

Isomeric SMILES

COC(=O)C1=C(CSC2N1C(=O)C2N)Cl

InChI

InChI=1S/C8H9ClN2O3S/c1-14-8(13)5-3(9)2-15-7-4(10)6(12)11(5)7/h4,7H,2,10H2,1H3