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

Systemtic Name: 3-[(2S)-2-(3-methoxy-2-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(2S)-2-(2-hydroxy-3-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(2S)-2-(2-hydroxy-3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(2S)-2-(2-hydroxy-3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(2S)-2-(2-hydroxy-3-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(=C2C[C@H](SC3=CC=CC=C3N2)C4=C(C(=CC=C4)OC)O)C(=O)O1

InChI

InChI=1S/C22H19NO5S/c1-12-10-16(24)20(22(26)28-12)15-11-19(13-6-5-8-17(27-2)21(13)25)29-18-9-4-3-7-14(18)23-15/h3-10,19,23,25H,11H2,1-2H3/t19-/m0/s1