3-[(2R)-2-(5-bromanyl-2-oxidanyl-phenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(2R)-2-(5-bromanyl-2-oxidanyl-phenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(2R)-2-(5-bromo-2-hydroxy-phenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(2R)-2-(5-bromo-2-hydroxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(2R)-2-(5-bromo-2-hydroxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(2R)-2-(5-bromo-2-hydroxy-phenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO4S/c1-11-8-17(25)20(21(26)27-11)15-10-19(13-9-12(22)6-7-16(13)24)28-18-5-3-2-4-14(18)23-15/h2-10,19,23-24,26H,1H3/t19-/m1/s1