methyl 3-methoxy-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: methyl 3-methoxy-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: methyl 3-methoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-methoxy-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester IUPAC Name: methyl 3-methoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 8-keto-3-methoxy-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)COC3=CC=CC=C3)OC

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)COC3=CC=CC=C3)OC

InChI

InChI=1S/C18H22N2O6S/c1-18(25-3)10-27-16-13(15(22)20(16)14(18)17(23)24-2)19-12(21)9-26-11-7-5-4-6-8-11/h4-8,13-14,16H,9-10H2,1-3H3,(H,19,21)