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

Systemtic Name: 3-[(2S)-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(2S)-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(2S)-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(2S)-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(2S)-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO4S/c1-12-10-17(24)20(21(25)26-12)16-11-19(13-6-8-14(23)9-7-13)27-18-5-3-2-4-15(18)22-16/h2-10,19,22-23H,11H2,1H3/t19-/m0/s1