(2S,3S)-8-chloranyl-3-oxidanyl-2-(4-phenylmethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-8-chloranyl-3-oxidanyl-2-(4-phenylmethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-2-(4-benzyloxyphenyl)-8-chloro-3-hydroxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-8-chloro-3-hydroxy-2-(4-phenylmethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-8-chloro-3-hydroxy-2-(4-phenylmethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-2-(4-benzoxyphenyl)-8-chloro-3-hydroxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(C(=O)NC4=C(S3)C=C(C=C4)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H]3[C@H](C(=O)NC4=C(S3)C=C(C=C4)Cl)O

InChI

InChI=1S/C22H18ClNO3S/c23-16-8-11-18-19(12-16)28-21(20(25)22(26)24-18)15-6-9-17(10-7-15)27-13-14-4-2-1-3-5-14/h1-12,20-21,25H,13H2,(H,24,26)/t20-,21+/m1/s1