(2R,3R)-8-ethyl-2-(4-methylphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-8-ethyl-2-(4-methylphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-8-ethyl-3-hydroxy-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-8-ethyl-3-hydroxy-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-8-ethyl-3-hydroxy-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-8-ethyl-3-hydroxy-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)[C@H]([C@H](S2)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C18H19NO2S/c1-3-12-6-9-14-15(10-12)22-17(16(20)18(21)19-14)13-7-4-11(2)5-8-13/h4-10,16-17,20H,3H2,1-2H3,(H,19,21)/t16-,17+/m0/s1