(2E)-N-(1,9-dihydropyren-2-yl)-3-oxidanylidene-2-[3-oxidanylidene-4-(pyren-2-ylcarbamoyl)-1-benzothiophen-2-ylidene]-1-benzothiophene-7-carboxamide

Systemtic Name: (2E)-N-(1,9-dihydropyren-2-yl)-3-oxidanylidene-2-[3-oxidanylidene-4-(pyren-2-ylcarbamoyl)-1-benzothiophen-2-ylidene]-1-benzothiophene-7-carboxamide Openeye Name: (2E)-N-(1,9-dihydropyren-2-yl)-3-oxo-2-[3-oxo-4-(pyren-2-ylcarbamoyl)benzothiophen-2-ylidene]benzothiophene-7-carboxamide CAS Name: (2E)-N-(1,9-dihydropyren-2-yl)-3-oxo-2-[3-oxo-4-[oxo-(2-pyrenylamino)methyl]-1-benzothiophen-2-ylidene]-1-benzothiophene-7-carboxamide IUPAC Name: (2E)-N-(1,9-dihydropyren-2-yl)-3-oxo-2-[3-oxo-4-(pyren-2-ylcarbamoyl)-1-benzothiophen-2-ylidene]-1-benzothiophene-7-carboxamide Traditional Name: (2E)-N-(1,9-dihydropyren-2-yl)-3-keto-2-[3-keto-4-(pyren-2-ylcarbamoyl)benzothiophen-2-ylidene]benzothiophene-7-carboxamide Formula: C50H28N2O4S2 MolecularWeight: 784.89832

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2CC(=CC3=C2C4=C(C=CC=C41)C=C3)NC(=O)C5=CC=CC6=C5SC(=C7C(=O)C8=C(C=CC=C8S7)C(=O)NC9=CC1=C2C(=C9)C=CC3=C2C(=CC=C3)C=C1)C6=O

Isomeric SMILES

C1C=C2CC(=CC3=C2C4=C(C=CC=C41)C=C3)NC(=O)C5=CC=CC6=C5S/C(=C/7\C(=O)C8=C(C=CC=C8S7)C(=O)NC9=CC1=C2C(=C9)C=CC3=C2C(=CC=C3)C=C1)/C6=O

InChI

InChI=1S/C50H28N2O4S2/c53-44-36-10-3-11-37(50(56)52-34-23-31-19-15-27-7-2-8-28-16-20-32(24-34)42(31)40(27)28)46(36)58-47(44)48-45(54)43-35(9-4-12-38(43)57-48)49(55)51-33-21-29-17-13-25-5-1-6-26-14-18-30(22-33)41(29)39(25)26/h1-15,17-23H,16,24H2,(H,51,55)(H,52,56)/b48-47+