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

Systemtic Name: 3-[(2S)-2-(3,5-dimethoxy-4-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(2S)-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(2S)-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC(=C(C(=C4)OC)O)OC)C(=O)O1

InChI

InChI=1S/C23H21NO6S/c1-12-8-16(25)21(23(27)30-12)15-11-20(31-19-7-5-4-6-14(19)24-15)13-9-17(28-2)22(26)18(10-13)29-3/h4-10,20,24,26H,11H2,1-3H3/t20-/m0/s1