chloromethyl 3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: chloromethyl 3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: chloromethyl 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chloromethyl ester IUPAC Name: chloromethyl 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chloromethyl ester Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCCl)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCCl)C

InChI

InChI=1S/C17H19ClN2O5S/c1-17(2)13(16(23)25-9-18)20-14(22)12(15(20)26-17)19-11(21)8-24-10-6-4-3-5-7-10/h3-7,12-13,15H,8-9H2,1-2H3,(H,19,21)