(8E)-8-[2-(3-methoxy-4-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-4-methyl-chromene-2,7-dione

Systemtic Name: (8E)-8-[2-(3-methoxy-4-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-4-methyl-chromene-2,7-dione Openeye Name: (8E)-8-[2-(4-hydroxy-3-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-4-methyl-chromene-2,7-dione CAS Name: (8E)-8-[2-(4-hydroxy-3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-4-methyl-1-benzopyran-2,7-dione IUPAC Name: (8E)-8-[2-(4-hydroxy-3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-4-methylchromene-2,7-dione Traditional Name: (8E)-8-[2-(4-hydroxy-3-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-4-methyl-chromene-2,7-quinone Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=O)C2=C3CC(SC4=CC=CC=C4N3)C5=CC(=C(C=C5)O)OC

Isomeric SMILES

CC1=CC(=O)OC\2=C1C=CC(=O)/C2=C/3\CC(SC4=CC=CC=C4N3)C5=CC(=C(C=C5)O)OC

InChI

InChI=1S/C26H21NO5S/c1-14-11-24(30)32-26-16(14)8-10-20(29)25(26)18-13-23(15-7-9-19(28)21(12-15)31-2)33-22-6-4-3-5-17(22)27-18/h3-12,23,27-28H,13H2,1-2H3/b25-18-