(phenylmethyl) (6S,7R)-7-acetamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (phenylmethyl) (6S,7R)-7-acetamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzyl (6S,7R)-7-acetamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S,7R)-7-acetamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (6S,7R)-7-acetamido-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S,7R)-7-acetamido-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H]1[C@H]2N(C1=O)C(C(=C)CS2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4S/c1-10-9-24-16-13(18-11(2)20)15(21)19(16)14(10)17(22)23-8-12-6-4-3-5-7-12/h3-7,13-14,16H,1,8-9H2,2H3,(H,18,20)/t13-,14?,16+/m1/s1