(2S,3R)-3-[(1R)-1-oxidanylethyl]-2-propan-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3R)-3-[(1R)-1-oxidanylethyl]-2-propan-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3R)-3-[(1R)-1-hydroxyethyl]-2-isopropyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3R)-3-[(1R)-1-hydroxyethyl]-2-propan-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3R)-3-[(1R)-1-hydroxyethyl]-2-propan-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3R)-3-[(1R)-1-hydroxyethyl]-2-isopropyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(=O)NC2=CC=CC=C2S1)C(C)O

Isomeric SMILES

C[C@H]([C@H]1[C@@H](SC2=CC=CC=C2NC1=O)C(C)C)O

InChI

InChI=1S/C14H19NO2S/c1-8(2)13-12(9(3)16)14(17)15-10-6-4-5-7-11(10)18-13/h4-9,12-13,16H,1-3H3,(H,15,17)/t9-,12+,13+/m1/s1