methyl 6-(2-chloranylethanoylamino)-6-methoxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: methyl 6-(2-chloranylethanoylamino)-6-methoxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: methyl 6-[(2-chloroacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[(2-chloro-1-oxoethyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-chloroacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[(2-chloroacetyl)amino]-7-keto-6-methoxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester Formula: C12H17ClN2O5S MolecularWeight: 336.79178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)CCl)OC)C(=O)OC)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)CCl)OC)C(=O)OC)C

InChI

InChI=1S/C12H17ClN2O5S/c1-11(2)7(8(17)19-3)15-9(18)12(20-4,10(15)21-11)14-6(16)5-13/h7,10H,5H2,1-4H3,(H,14,16)