(3E)-3-[2-(5-methoxy-2-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3E)-3-[2-(5-methoxy-2-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[2-(2-hydroxy-5-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[2-(2-hydroxy-5-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[2-(2-hydroxy-5-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[2-(2-hydroxy-5-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=C(C=CC(=C4)OC)O)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SC3=CC=CC=C3N2)C4=C(C=CC(=C4)OC)O)/C(=O)O1

InChI

InChI=1S/C22H19NO5S/c1-12-9-18(25)21(22(26)28-12)16-11-20(14-10-13(27-2)7-8-17(14)24)29-19-6-4-3-5-15(19)23-16/h3-10,20,23-24H,11H2,1-2H3/b21-16+