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

Systemtic Name: 6-methyl-3-[(2S)-2-(4-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: 3-[(2S)-2-(4-isopropylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 6-methyl-3-[(2S)-2-(4-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(2S)-2-(4-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(2S)-2-p-cumenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-quinone Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO3S/c1-14(2)16-8-10-17(11-9-16)22-13-19(23-20(26)12-15(3)28-24(23)27)25-18-6-4-5-7-21(18)29-22/h4-12,14,22,25H,13H2,1-3H3/t22-/m0/s1