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

Systemtic Name: (phenylmethyl) 6-isocyano-3,3-dimethyl-6-methylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-isocyano-3,3-dimethyl-6-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-isocyano-3,3-dimethyl-6-(methylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-isocyano-3,3-dimethyl-6-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-isocyano-7-keto-3,3-dimethyl-6-(methylthio)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)([N+]#[C-])SC)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)([N+]#[C-])SC)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C17H18N2O3S2/c1-16(2)12(13(20)22-10-11-8-6-5-7-9-11)19-14(21)17(18-3,23-4)15(19)24-16/h5-9,12,15H,10H2,1-2,4H3