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

Systemtic Name: tert-butyl (6S,7R)-7-benzamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: tert-butyl (6S,7R)-7-benzamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S,7R)-7-benzamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6S,7R)-7-benzamido-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S,7R)-7-benzamido-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid tert-butyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=C)CSC2N1C(=O)C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=C)CS[C@@H]2N1C(=O)[C@H]2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-11-10-26-17-13(20-15(22)12-8-6-5-7-9-12)16(23)21(17)14(11)18(24)25-19(2,3)4/h5-9,13-14,17H,1,10H2,2-4H3,(H,20,22)/t13-,14?,17+/m1/s1