3H-2-benzofuran-1-one; 3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 3H-2-benzofuran-1-one; 3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3H-isobenzofuran-1-one CAS Name: 3,3-dimethyl-7-oxo-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3H-isobenzofuran-1-one IUPAC Name: 3H-2-benzofuran-1-one; 3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; phthalide Formula: C35H31N2O5S- MolecularWeight: 591.69604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-])C.C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-])C.C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C27H26N2O3S.C8H6O2/c1-26(2)22(25(31)32)29-23(30)21(24(29)33-26)28-27(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;9-8-7-4-2-1-3-6(7)5-10-8/h3-17,21-22,24,28H,1-2H3,(H,31,32);1-4H,5H2/p-1