(3-oxidanylidene-1H-2-benzofuran-1-yl) 3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 3-[(E)-2-acetamidovinyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[(E)-2-acetamidoethenyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[[(E)-2-acetamidovinyl]thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid phthalidyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC=CSC1=C(N2C(C1)CC2=O)C(=O)OC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(=O)N/C=C/SC1=C(N2C(C1)CC2=O)C(=O)OC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C19H16N2O6S/c1-10(22)20-6-7-28-14-8-11-9-15(23)21(11)16(14)18(25)27-19-13-5-3-2-4-12(13)17(24)26-19/h2-7,11,19H,8-9H2,1H3,(H,20,22)/b7-6+