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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 3-ethylsulfanyl-6-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 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 (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 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 phthalidyl ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CC2C(C(=O)N2C1C(=O)OC3C4=CC=CC=C4C(=O)O3)CC=CC(=O)OC

Isomeric SMILES

CCSC1CC2C(C(=O)N2C1C(=O)OC3C4=CC=CC=C4C(=O)O3)C/C=C/C(=O)OC

InChI

InChI=1S/C22H23NO7S/c1-3-31-16-11-15-14(9-6-10-17(24)28-2)19(25)23(15)18(16)21(27)30-22-13-8-5-4-7-12(13)20(26)29-22/h4-8,10,14-16,18,22H,3,9,11H2,1-2H3/b10-6+