(phenylmethyl) 3,3-dimethyl-6-(2-methylprop-2-enoylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3,3-dimethyl-6-(2-methylprop-2-enoylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3,3-dimethyl-6-(2-methylprop-2-enoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-6-[(2-methyl-1-oxoprop-2-enyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,3-dimethyl-6-(2-methylprop-2-enoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-6-methacrylamido-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=C)C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3

InChI

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