3,3-dimethyl-7-oxidanylidene-2-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3-phenyl-3H-2-benzofuran-1-one

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-2-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3-phenyl-3H-2-benzofuran-1-one Openeye Name: 3,3-dimethyl-7-oxo-2-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3-phenyl-3H-isobenzofuran-1-one CAS Name: 3,3-dimethyl-7-oxo-2-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3-phenyl-3H-isobenzofuran-1-one IUPAC Name: 3,3-dimethyl-7-oxo-2-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3-phenyl-3H-2-benzofuran-1-one Traditional Name: 7-keto-3,3-dimethyl-2-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3-phenylphthalide Formula: C30H27N2O6S- MolecularWeight: 543.61018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)(C(=O)[O-])NC(=O)CC3=CC=CC=C3)C.C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)(C(=O)[O-])NC(=O)CC3=CC=CC=C3)C.C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H18N2O4S.C14H10O2/c1-15(2)16(14(21)22,18-12(20)9-13(18)23-15)17-11(19)8-10-6-4-3-5-7-10;15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h3-7,13H,8-9H2,1-2H3,(H,17,19)(H,21,22);1-9,13H/p-1