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

Systemtic Name: (2R,3R)-2-(4-methylphenyl)-3-oxidanyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-8-benzyloxy-3-hydroxy-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-3-hydroxy-2-(4-methylphenyl)-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-3-hydroxy-2-(4-methylphenyl)-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-8-benzoxy-3-hydroxy-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C23H21NO3S/c1-15-7-9-17(10-8-15)22-21(25)23(26)24-19-12-11-18(13-20(19)28-22)27-14-16-5-3-2-4-6-16/h2-13,21-22,25H,14H2,1H3,(H,24,26)/t21-,22+/m0/s1