3-[(2S)-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(2S)-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(2S)-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(2S)-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(2S)-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(2S)-2-(4-fluorophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one Formula: C21H16FNO3S MolecularWeight: 381.420043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C2=CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C2=C[C@H](SC3=CC=CC=C3N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FNO3S/c1-12-10-17(24)20(21(25)26-12)16-11-19(13-6-8-14(22)9-7-13)27-18-5-3-2-4-15(18)23-16/h2-11,19,23,25H,1H3/t19-/m0/s1