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

Systemtic Name: 3-[(2S)-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(2S)-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(2S)-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(2S)-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(2S)-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4S/c1-13-10-18(24)21(22(25)27-13)17-12-20(14-6-5-7-15(11-14)26-2)28-19-9-4-3-8-16(19)23-17/h3-11,20,23H,12H2,1-2H3/t20-/m0/s1