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

Systemtic Name: (phenylmethyl) 3,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-allyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 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 3,3-dimethyl-7-oxo-6-prop-2-enyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-allyl-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-4-8-13-15(20)19-14(18(2,3)23-16(13)19)17(21)22-11-12-9-6-5-7-10-12/h4-7,9-10,13-14,16H,1,8,11H2,2-3H3