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

Systemtic Name: (phenylmethyl) 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-allyl-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-3,3-dimethyl-7-oxo-6-prop-2-enyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-3,3-dimethyl-7-oxo-6-prop-2-enyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-allyl-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(CC=C)Br)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(CC=C)Br)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C18H20BrNO3S/c1-4-10-18(19)15(22)20-13(17(2,3)24-16(18)20)14(21)23-11-12-8-6-5-7-9-12/h4-9,13,16H,1,10-11H2,2-3H3