(phenylmethyl) 6-bromanyl-3-methyl-8-oxidanylidene-7-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-bromanyl-3-methyl-8-oxidanylidene-7-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 7-allyl-6-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 6-bromo-3-methyl-8-oxo-7-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-bromo-3-methyl-8-oxo-7-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-allyl-6-bromo-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=O)C(C2(SC1)Br)CC=C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N2C(=O)C(C2(SC1)Br)CC=C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18BrNO3S/c1-3-7-14-16(21)20-15(12(2)11-24-18(14,20)19)17(22)23-10-13-8-5-4-6-9-13/h3-6,8-9,14H,1,7,10-11H2,2H3