1,3-bis(oxidanylidene)-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-thiophen-3-yl-phenyl]isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-thiophen-3-yl-phenyl]isoindole-5-carboxylic acid Openeye Name: 1,3-dioxo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-(3-thienyl)phenyl]isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-(3-thiophenyl)phenyl]-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-thiophen-3-ylphenyl]isoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[5-(5-phenyl-1,3-benzoxazol-2-yl)-2-(3-thienyl)phenyl]isoindoline-5-carboxylic acid Formula: C32H18N2O5S MolecularWeight: 542.56072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C5=CSC=C5)N6C(=O)C7=C(C6=O)C=C(C=C7)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C5=CSC=C5)N6C(=O)C7=C(C6=O)C=C(C=C7)C(=O)O

InChI

InChI=1S/C32H18N2O5S/c35-30-24-10-7-21(32(37)38)14-25(24)31(36)34(30)27-16-20(6-9-23(27)22-12-13-40-17-22)29-33-26-15-19(8-11-28(26)39-29)18-4-2-1-3-5-18/h1-17H,(H,37,38)