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

Systemtic Name: methyl 3-acetyloxy-3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: methyl 3-acetoxy-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-acetyloxy-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyloxy-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-acetoxy-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=O)OC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H22N2O6S/c1-11(22)27-19(2)10-28-17-14(16(24)21(17)15(19)18(25)26-3)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)