(phenylmethyl) 3-ethylsulfanyl-6-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-ethylsulfanyl-6-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-ethylsulfanyl-6-[(E)-4-methoxy-4-oxo-but-2-enyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(ethylthio)-6-[(E)-4-methoxy-4-oxobut-2-enyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethylsulfanyl-6-[(E)-4-methoxy-4-oxobut-2-enyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(ethylthio)-7-keto-6-[(E)-4-keto-4-methoxy-but-2-enyl]-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1CC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)CC=CC(=O)OC

Isomeric SMILES

CCSC1CC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)C/C=C/C(=O)OC

InChI

InChI=1S/C21H25NO5S/c1-3-28-17-12-16-15(10-7-11-18(23)26-2)20(24)22(16)19(17)21(25)27-13-14-8-5-4-6-9-14/h4-9,11,15-17,19H,3,10,12-13H2,1-2H3/b11-7+