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

Systemtic Name: (2S,3S)-2-(4-methoxyphenyl)-3-oxidanyl-8-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-8-benzyl-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-8-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-8-benzyl-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-8-benzyl-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C23H21NO3S MolecularWeight: 391.48274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=C(S2)C=C(C=C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H21NO3S/c1-27-18-10-8-17(9-11-18)22-21(25)23(26)24-19-12-7-16(14-20(19)28-22)13-15-5-3-2-4-6-15/h2-12,14,21-22,25H,13H2,1H3,(H,24,26)/t21-,22+/m1/s1